2-Allyl-2-methyl-1,3-propanediol Isopropylcarbamate - CAS 1797946-61-2
Catalog: |
BB075161 |
Product Name: |
2-Allyl-2-methyl-1,3-propanediol Isopropylcarbamate |
CAS: |
1797946-61-2 |
Synonyms: |
2-Allyl-2-methyl-1,3-propanediol Isopropylcarbamate; [2-(hydroxymethyl)-2-methylpent-4-enyl] N-propan-2-ylcarbamate; 2-(Hydroxymethyl)-2-methylpent-4-en-1-yl isopropylcarbamate |
IUPAC Name: | [2-(hydroxymethyl)-2-methylpent-4-enyl] N-propan-2-ylcarbamate |
Molecular Weight: | 215.29 |
Molecular Formula: | C11H21NO3 |
Canonical SMILES: | CC(C)NC(=O)OCC(C)(CC=C)CO |
InChI: | InChI=1S/C11H21NO3/c1-5-6-11(4,7-13)8-15-10(14)12-9(2)3/h5,9,13H,1,6-8H2,2-4H3,(H,12,14) |
InChI Key: | OUDXTZMAYGENMF-UHFFFAOYSA-N |
Solubility: | Acetone, Chloroform, Dichloromethane |
Complexity: | 216 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 215.15214353 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 215.15214353 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 58.6Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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