1-(7-hydroxyheptyl)-2-propan-2-ylcyclohexan-1-ol

C16H32O2 — CID 54437646

IUPAC1-(7-hydroxyheptyl)-2-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCCCC1(O)CCCCCCCO
InChIInChI=1S/C16H32O2/c1-14(2)15-10-6-8-12-16(15,18)11-7-4-3-5-9-13-17/h14-15,17-18H,3-13H2,1-2H3
InChIKeyWLVRJJSKTNZHBV-UHFFFAOYSA-N
MW256.43 g/mol
LogP3.90
Rot. Bonds8

About 1-(7-hydroxyheptyl)-2-propan-2-ylcyclohexan-1-ol

1-(7-hydroxyheptyl)-2-propan-2-ylcyclohexan-1-ol (PubChem CID 54437646) has the molecular formula C16H32O2 and a molecular weight of 256.43 g/mol. Its IUPAC name is 1-(7-hydroxyheptyl)-2-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(7-hydroxyheptyl)-2-propan-2-ylcyclohexan-1-ol
PubChem CID54437646
Molecular FormulaC16H32O2
Molecular Weight256.43 g/mol
Exact Mass256.24
IUPAC Name1-(7-hydroxyheptyl)-2-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCCCC1(O)CCCCCCCO
InChIInChI=1S/C16H32O2/c1-14(2)15-10-6-8-12-16(15,18)11-7-4-3-5-9-13-17/h14-15,17-18H,3-13H2,1-2H3
InChIKeyWLVRJJSKTNZHBV-UHFFFAOYSA-N
XLogP3.90
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 53.90
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-(7-hydroxyheptyl)-2-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 1-(7-hydroxyheptyl)-2-propan-2-ylcyclohexan-1-ol (CID 54437646) is 1-(7-hydroxyheptyl)-2-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 1-(7-hydroxyheptyl)-2-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 1-(7-hydroxyheptyl)-2-propan-2-ylcyclohexan-1-ol is CC(C)C1CCCCC1(O)CCCCCCCO.
What is the InChIKey of 1-(7-hydroxyheptyl)-2-propan-2-ylcyclohexan-1-ol?
The InChIKey is WLVRJJSKTNZHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O2/c1-14(2)15-10-6-8-12-16(15,18)11-7-4-3-5-9-13-17/h14-15,17-18H,3-13H2,1-2H3.
What are the key properties of 1-(7-hydroxyheptyl)-2-propan-2-ylcyclohexan-1-ol?
1-(7-hydroxyheptyl)-2-propan-2-ylcyclohexan-1-ol has a molecular weight of 256.43 g/mol, XLogP of 3.90, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-hydroxyheptyl)-2-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 54437646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).