1,1-dicyclohexylheptan-1-ol

C19H36O — CID 13411404

IUPAC1,1-dicyclohexylheptan-1-ol
SMILESCCCCCCC(O)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C19H36O/c1-2-3-4-11-16-19(20,17-12-7-5-8-13-17)18-14-9-6-10-15-18/h17-18,20H,2-16H2,1H3
InChIKeyZMQHFJLWUYHGHC-UHFFFAOYSA-N
MW280.50 g/mol
LogP5.85
Rot. Bonds7

About 1,1-dicyclohexylheptan-1-ol

1,1-dicyclohexylheptan-1-ol (PubChem CID 13411404) has the molecular formula C19H36O and a molecular weight of 280.50 g/mol. Its IUPAC name is 1,1-dicyclohexylheptan-1-ol.

Molecular Properties

Compound Name1,1-dicyclohexylheptan-1-ol
PubChem CID13411404
Molecular FormulaC19H36O
Molecular Weight280.50 g/mol
Exact Mass280.28
IUPAC Name1,1-dicyclohexylheptan-1-ol
SMILESCCCCCCC(O)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C19H36O/c1-2-3-4-11-16-19(20,17-12-7-5-8-13-17)18-14-9-6-10-15-18/h17-18,20H,2-16H2,1H3
InChIKeyZMQHFJLWUYHGHC-UHFFFAOYSA-N
XLogP5.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.50
LogP ≤ 55.85
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 1,1-dicyclohexylheptan-1-ol?
The IUPAC name of 1,1-dicyclohexylheptan-1-ol (CID 13411404) is 1,1-dicyclohexylheptan-1-ol.
What is the SMILES notation for 1,1-dicyclohexylheptan-1-ol?
The canonical SMILES for 1,1-dicyclohexylheptan-1-ol is CCCCCCC(O)(C1CCCCC1)C1CCCCC1.
What is the InChIKey of 1,1-dicyclohexylheptan-1-ol?
The InChIKey is ZMQHFJLWUYHGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O/c1-2-3-4-11-16-19(20,17-12-7-5-8-13-17)18-14-9-6-10-15-18/h17-18,20H,2-16H2,1H3.
What are the key properties of 1,1-dicyclohexylheptan-1-ol?
1,1-dicyclohexylheptan-1-ol has a molecular weight of 280.50 g/mol, XLogP of 5.85, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dicyclohexylheptan-1-ol is sourced from PubChem (CID 13411404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).