2-octoxy-4-propan-2-ylcyclohexan-1-ol

C17H34O2 — CID 63464871

IUPAC2-octoxy-4-propan-2-ylcyclohexan-1-ol
SMILESCCCCCCCCOC1CC(C(C)C)CCC1O
InChIInChI=1S/C17H34O2/c1-4-5-6-7-8-9-12-19-17-13-15(14(2)3)10-11-16(17)18/h14-18H,4-13H2,1-3H3
InChIKeyAAVNEFCJRNUPPV-UHFFFAOYSA-N
MW270.46 g/mol
LogP4.55
Rot. Bonds9

About 2-octoxy-4-propan-2-ylcyclohexan-1-ol

2-octoxy-4-propan-2-ylcyclohexan-1-ol (PubChem CID 63464871) has the molecular formula C17H34O2 and a molecular weight of 270.46 g/mol. Its IUPAC name is 2-octoxy-4-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name2-octoxy-4-propan-2-ylcyclohexan-1-ol
PubChem CID63464871
Molecular FormulaC17H34O2
Molecular Weight270.46 g/mol
Exact Mass270.26
IUPAC Name2-octoxy-4-propan-2-ylcyclohexan-1-ol
SMILESCCCCCCCCOC1CC(C(C)C)CCC1O
InChIInChI=1S/C17H34O2/c1-4-5-6-7-8-9-12-19-17-13-15(14(2)3)10-11-16(17)18/h14-18H,4-13H2,1-3H3
InChIKeyAAVNEFCJRNUPPV-UHFFFAOYSA-N
XLogP4.55
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 54.55
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 2-octoxy-4-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 2-octoxy-4-propan-2-ylcyclohexan-1-ol (CID 63464871) is 2-octoxy-4-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 2-octoxy-4-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 2-octoxy-4-propan-2-ylcyclohexan-1-ol is CCCCCCCCOC1CC(C(C)C)CCC1O.
What is the InChIKey of 2-octoxy-4-propan-2-ylcyclohexan-1-ol?
The InChIKey is AAVNEFCJRNUPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O2/c1-4-5-6-7-8-9-12-19-17-13-15(14(2)3)10-11-16(17)18/h14-18H,4-13H2,1-3H3.
What are the key properties of 2-octoxy-4-propan-2-ylcyclohexan-1-ol?
2-octoxy-4-propan-2-ylcyclohexan-1-ol has a molecular weight of 270.46 g/mol, XLogP of 4.55, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-octoxy-4-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 63464871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).