(1S,2R)-1-cyclohexyl-2-(dimethoxymethyl)heptan-1-ol

C16H32O3 — CID 101356312

IUPAC(1S,2R)-1-cyclohexyl-2-(dimethoxymethyl)heptan-1-ol
SMILESCCCCC[C@@H](C(OC)OC)[C@@H](O)C1CCCCC1
InChIInChI=1S/C16H32O3/c1-4-5-7-12-14(16(18-2)19-3)15(17)13-10-8-6-9-11-13/h13-17H,4-12H2,1-3H3/t14-,15+/m1/s1
InChIKeyWAMYILPLACLHLV-CABCVRRESA-N
MW272.43 g/mol
LogP3.74
Rot. Bonds9

About (1S,2R)-1-cyclohexyl-2-(dimethoxymethyl)heptan-1-ol

(1S,2R)-1-cyclohexyl-2-(dimethoxymethyl)heptan-1-ol (PubChem CID 101356312) has the molecular formula C16H32O3 and a molecular weight of 272.43 g/mol. Its IUPAC name is (1S,2R)-1-cyclohexyl-2-(dimethoxymethyl)heptan-1-ol.

Molecular Properties

Compound Name(1S,2R)-1-cyclohexyl-2-(dimethoxymethyl)heptan-1-ol
PubChem CID101356312
Molecular FormulaC16H32O3
Molecular Weight272.43 g/mol
Exact Mass272.24
IUPAC Name(1S,2R)-1-cyclohexyl-2-(dimethoxymethyl)heptan-1-ol
SMILESCCCCC[C@@H](C(OC)OC)[C@@H](O)C1CCCCC1
InChIInChI=1S/C16H32O3/c1-4-5-7-12-14(16(18-2)19-3)15(17)13-10-8-6-9-11-13/h13-17H,4-12H2,1-3H3/t14-,15+/m1/s1
InChIKeyWAMYILPLACLHLV-CABCVRRESA-N
XLogP3.74
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-cyclohexyl-1-methoxydodecan-2-ol
CID 116756363
1-cyclohexyl-1-methoxynonan-2-ol
CID 14761900
1-cyclohexyldodecane-1,2-diol
CID 103459050
(1S)-1-cyclohexyl-2,2-dimethoxyethanol
CID 100970044
1-cyclooctylundecan-1-ol
CID 80603651
1-(dimethoxymethoxy)nonylcyclohexane
CID 151905093
1-cyclohexylheptylcyclohexane
CID 16404
1-cycloheptyldecylcycloheptane
CID 20559033
hexadecan-8-ylcyclohexane
CID 91510029
undecan-5-ylcyclohexane
CID 524419
1-cycloheptyloctan-2-ol
CID 115783533
1-cyclohexyltridec-2-yne-1,4-diol
CID 15695908

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-cyclohexyl-2-(dimethoxymethyl)heptan-1-ol?
The IUPAC name of (1S,2R)-1-cyclohexyl-2-(dimethoxymethyl)heptan-1-ol (CID 101356312) is (1S,2R)-1-cyclohexyl-2-(dimethoxymethyl)heptan-1-ol.
What is the SMILES notation for (1S,2R)-1-cyclohexyl-2-(dimethoxymethyl)heptan-1-ol?
The canonical SMILES for (1S,2R)-1-cyclohexyl-2-(dimethoxymethyl)heptan-1-ol is CCCCC[C@@H](C(OC)OC)[C@@H](O)C1CCCCC1.
What is the InChIKey of (1S,2R)-1-cyclohexyl-2-(dimethoxymethyl)heptan-1-ol?
The InChIKey is WAMYILPLACLHLV-CABCVRRESA-N. The full InChI is InChI=1S/C16H32O3/c1-4-5-7-12-14(16(18-2)19-3)15(17)13-10-8-6-9-11-13/h13-17H,4-12H2,1-3H3/t14-,15+/m1/s1.
What are the key properties of (1S,2R)-1-cyclohexyl-2-(dimethoxymethyl)heptan-1-ol?
(1S,2R)-1-cyclohexyl-2-(dimethoxymethyl)heptan-1-ol has a molecular weight of 272.43 g/mol, XLogP of 3.74, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-cyclohexyl-2-(dimethoxymethyl)heptan-1-ol is sourced from PubChem (CID 101356312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).