Cyclododecanone - CAS 830-13-7

Catalog:	BB036954
Product Name:	Cyclododecanone
CAS:	830-13-7
Synonyms:	cyclododecanone

Technical Data

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Computed Properties

IUPAC Name:	cyclododecanone
Description:	Cyclododecanone (CAS# 830-13-7) is a general chemical reagent used in organic synthesis.
Molecular Weight:	182.30
Molecular Formula:	C12H22O
Canonical SMILES:	C1CCCCCC(=O)CCCCC1
InChI:	InChI=1S/C12H22O/c13-12-10-8-6-4-2-1-3-5-7-9-11-12/h1-11H2
InChI Key:	SXVPOSFURRDKBO-UHFFFAOYSA-N
Boiling Point:	195 °C
Melting Point:	59 °C
Density:	0.906 g/cm³
Solubility:	Water : 0.026 g/L at 20 °C (68 °F) - OECD Test Guideline 105;
Appearance:	White crystalline powder
MDL:	MFCD00003722
LogP:	3.86020
Vapor Pressure:	0.0075 [mmHg]

Publication Number	Title	Priority Date
CN-113461504-A	Method for preparing macrocyclic alkanone from epoxide	20210813
CN-113512044-A	Water-soluble benzotriazole supermolecule cup compound, and preparation method and application thereof	20210603
CN-113214283-A	Preparation method of furan macrocyclic compound, prepared furan macrocyclic compound and application	20210412
CN-112479925-A	Large naphthenone ammoximation method	20201130
CN-112479964-A	Method for preparing laurolactam by cyclododecanone oxime extraction rearrangement reaction	20201117

PMID	Publication Date	Title	Journal
22606145	20120401	N'-Cyclo-dodecyl-idene-pyridine-4-carbohydrazide	Acta crystallographica. Section E, Structure reports online
21990014	20111104	Structure-activity relationship for the first-in-class clinical steroid sulfatase inhibitor Irosustat (STX64, BN83495)	ChemMedChem
19444442	20091001	Bioproduction of lauryl lactone and 4-vinyl guaiacol as value-added chemicals in two-phase biotransformation systems	Applied microbiology and biotechnology
19286355	20090401	Investigation on the Beckmann rearrangement reaction catalyzed by porous solids: MAS NMR and theoretical calculations	Solid state nuclear magnetic resonance
18616265	20080813	Design, synthesis, and fungicidal activity of macrolactones and macrolactams with a sulfonamide side chain	Journal of agricultural and food chemistry

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Complexity:	126
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	182.167065321
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	182.167065321
Rotatable Bond Count:	0
Topological Polar Surface Area:	17.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.2