1-(6-methylheptyl)cyclohexan-1-ol

C14H28O — CID 18459383

IUPAC1-(6-methylheptyl)cyclohexan-1-ol
SMILESCC(C)CCCCCC1(O)CCCCC1
InChIInChI=1S/C14H28O/c1-13(2)9-5-3-6-10-14(15)11-7-4-8-12-14/h13,15H,3-12H2,1-2H3
InChIKeyGZYCLDGVYJRXDO-UHFFFAOYSA-N
MW212.38 g/mol
LogP4.29
Rot. Bonds6

About 1-(6-methylheptyl)cyclohexan-1-ol

1-(6-methylheptyl)cyclohexan-1-ol (PubChem CID 18459383) has the molecular formula C14H28O and a molecular weight of 212.38 g/mol. Its IUPAC name is 1-(6-methylheptyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(6-methylheptyl)cyclohexan-1-ol
PubChem CID18459383
Molecular FormulaC14H28O
Molecular Weight212.38 g/mol
Exact Mass212.21
IUPAC Name1-(6-methylheptyl)cyclohexan-1-ol
SMILESCC(C)CCCCCC1(O)CCCCC1
InChIInChI=1S/C14H28O/c1-13(2)9-5-3-6-10-14(15)11-7-4-8-12-14/h13,15H,3-12H2,1-2H3
InChIKeyGZYCLDGVYJRXDO-UHFFFAOYSA-N
XLogP4.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methylheptyl)cyclohexan-1-ol?
The IUPAC name of 1-(6-methylheptyl)cyclohexan-1-ol (CID 18459383) is 1-(6-methylheptyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(6-methylheptyl)cyclohexan-1-ol?
The canonical SMILES for 1-(6-methylheptyl)cyclohexan-1-ol is CC(C)CCCCCC1(O)CCCCC1.
What is the InChIKey of 1-(6-methylheptyl)cyclohexan-1-ol?
The InChIKey is GZYCLDGVYJRXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O/c1-13(2)9-5-3-6-10-14(15)11-7-4-8-12-14/h13,15H,3-12H2,1-2H3.
What are the key properties of 1-(6-methylheptyl)cyclohexan-1-ol?
1-(6-methylheptyl)cyclohexan-1-ol has a molecular weight of 212.38 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methylheptyl)cyclohexan-1-ol is sourced from PubChem (CID 18459383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).