1,1-dicyclohexylpentane-1,5-diol

C17H32O2 — CID 22179017

IUPAC1,1-dicyclohexylpentane-1,5-diol
SMILESOCCCCC(O)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C17H32O2/c18-14-8-7-13-17(19,15-9-3-1-4-10-15)16-11-5-2-6-12-16/h15-16,18-19H,1-14H2
InChIKeyZDIZKLRNQNPWQR-UHFFFAOYSA-N
MW268.44 g/mol
LogP4.04
Rot. Bonds6

About 1,1-dicyclohexylpentane-1,5-diol

1,1-dicyclohexylpentane-1,5-diol (PubChem CID 22179017) has the molecular formula C17H32O2 and a molecular weight of 268.44 g/mol. Its IUPAC name is 1,1-dicyclohexylpentane-1,5-diol.

Molecular Properties

Compound Name1,1-dicyclohexylpentane-1,5-diol
PubChem CID22179017
Molecular FormulaC17H32O2
Molecular Weight268.44 g/mol
Exact Mass268.24
IUPAC Name1,1-dicyclohexylpentane-1,5-diol
SMILESOCCCCC(O)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C17H32O2/c18-14-8-7-13-17(19,15-9-3-1-4-10-15)16-11-5-2-6-12-16/h15-16,18-19H,1-14H2
InChIKeyZDIZKLRNQNPWQR-UHFFFAOYSA-N
XLogP4.04
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 54.04
H-Bond Donors ≤ 52
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 1,1-dicyclohexylpentane-1,5-diol?
The IUPAC name of 1,1-dicyclohexylpentane-1,5-diol (CID 22179017) is 1,1-dicyclohexylpentane-1,5-diol.
What is the SMILES notation for 1,1-dicyclohexylpentane-1,5-diol?
The canonical SMILES for 1,1-dicyclohexylpentane-1,5-diol is OCCCCC(O)(C1CCCCC1)C1CCCCC1.
What is the InChIKey of 1,1-dicyclohexylpentane-1,5-diol?
The InChIKey is ZDIZKLRNQNPWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O2/c18-14-8-7-13-17(19,15-9-3-1-4-10-15)16-11-5-2-6-12-16/h15-16,18-19H,1-14H2.
What are the key properties of 1,1-dicyclohexylpentane-1,5-diol?
1,1-dicyclohexylpentane-1,5-diol has a molecular weight of 268.44 g/mol, XLogP of 4.04, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dicyclohexylpentane-1,5-diol is sourced from PubChem (CID 22179017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).