1-cyclohexyl-1-methoxynonan-2-ol

C16H32O2 — CID 14761900

IUPAC1-cyclohexyl-1-methoxynonan-2-ol
SMILESCCCCCCCC(O)C(OC)C1CCCCC1
InChIInChI=1S/C16H32O2/c1-3-4-5-6-10-13-15(17)16(18-2)14-11-8-7-9-12-14/h14-17H,3-13H2,1-2H3
InChIKeyPJZOJBFCCFGXTN-UHFFFAOYSA-N
MW256.43 g/mol
LogP4.30
Rot. Bonds9

About 1-cyclohexyl-1-methoxynonan-2-ol

1-cyclohexyl-1-methoxynonan-2-ol (PubChem CID 14761900) has the molecular formula C16H32O2 and a molecular weight of 256.43 g/mol. Its IUPAC name is 1-cyclohexyl-1-methoxynonan-2-ol.

Molecular Properties

Compound Name1-cyclohexyl-1-methoxynonan-2-ol
PubChem CID14761900
Molecular FormulaC16H32O2
Molecular Weight256.43 g/mol
Exact Mass256.24
IUPAC Name1-cyclohexyl-1-methoxynonan-2-ol
SMILESCCCCCCCC(O)C(OC)C1CCCCC1
InChIInChI=1S/C16H32O2/c1-3-4-5-6-10-13-15(17)16(18-2)14-11-8-7-9-12-14/h14-17H,3-13H2,1-2H3
InChIKeyPJZOJBFCCFGXTN-UHFFFAOYSA-N
XLogP4.30
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-cyclohexyl-1-methoxynonan-2-ol?
The IUPAC name of 1-cyclohexyl-1-methoxynonan-2-ol (CID 14761900) is 1-cyclohexyl-1-methoxynonan-2-ol.
What is the SMILES notation for 1-cyclohexyl-1-methoxynonan-2-ol?
The canonical SMILES for 1-cyclohexyl-1-methoxynonan-2-ol is CCCCCCCC(O)C(OC)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-1-methoxynonan-2-ol?
The InChIKey is PJZOJBFCCFGXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O2/c1-3-4-5-6-10-13-15(17)16(18-2)14-11-8-7-9-12-14/h14-17H,3-13H2,1-2H3.
What are the key properties of 1-cyclohexyl-1-methoxynonan-2-ol?
1-cyclohexyl-1-methoxynonan-2-ol has a molecular weight of 256.43 g/mol, XLogP of 4.30, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-methoxynonan-2-ol is sourced from PubChem (CID 14761900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).