4,4-Di(hydroxymethyl)-1-methyl-1-cyclohexene - CAS 15827-42-6

Catalog:	BB011399
Product Name:	4,4-Di(hydroxymethyl)-1-methyl-1-cyclohexene
CAS:	15827-42-6
Synonyms:	[1-(hydroxymethyl)-4-methyl-1-cyclohex-3-enyl]methanol; [1-(hydroxymethyl)-4-methylcyclohex-3-en-1-yl]methanol

Technical Data

Patents

Computed Properties

IUPAC Name:	[1-(hydroxymethyl)-4-methylcyclohex-3-en-1-yl]methanol
Description:	4,4-Di(hydroxymethyl)-1-methyl-1-cyclohexene (CAS# 15827-42-6 ) is a useful research chemical.
Molecular Weight:	156.22
Molecular Formula:	C9H16O2
Canonical SMILES:	CC1=CCC(CC1)(CO)CO
InChI:	InChI=1S/C9H16O2/c1-8-2-4-9(6-10,7-11)5-3-8/h2,10-11H,3-7H2,1H3
InChI Key:	JTRLVVUONAUOHI-UHFFFAOYSA-N
LogP:	0.00000

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Complexity:	157
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	156.115029749
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	156.115029749
Rotatable Bond Count:	2
Topological Polar Surface Area:	40.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.4