4-(cyclohexen-1-yl)-3-methylbutan-1-ol

C11H20O — CID 66584171

IUPAC4-(cyclohexen-1-yl)-3-methylbutan-1-ol
SMILESCC(CCO)CC1=CCCCC1
InChIInChI=1S/C11H20O/c1-10(7-8-12)9-11-5-3-2-4-6-11/h5,10,12H,2-4,6-9H2,1H3
InChIKeyIOGBYRZHTZYOQL-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.90
Rot. Bonds4

About 4-(cyclohexen-1-yl)-3-methylbutan-1-ol

4-(cyclohexen-1-yl)-3-methylbutan-1-ol (PubChem CID 66584171) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 4-(cyclohexen-1-yl)-3-methylbutan-1-ol.

Molecular Properties

Compound Name4-(cyclohexen-1-yl)-3-methylbutan-1-ol
PubChem CID66584171
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name4-(cyclohexen-1-yl)-3-methylbutan-1-ol
SMILESCC(CCO)CC1=CCCCC1
InChIInChI=1S/C11H20O/c1-10(7-8-12)9-11-5-3-2-4-6-11/h5,10,12H,2-4,6-9H2,1H3
InChIKeyIOGBYRZHTZYOQL-UHFFFAOYSA-N
XLogP2.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexen-1-yl)-3-methylbutan-1-ol?
The IUPAC name of 4-(cyclohexen-1-yl)-3-methylbutan-1-ol (CID 66584171) is 4-(cyclohexen-1-yl)-3-methylbutan-1-ol.
What is the SMILES notation for 4-(cyclohexen-1-yl)-3-methylbutan-1-ol?
The canonical SMILES for 4-(cyclohexen-1-yl)-3-methylbutan-1-ol is CC(CCO)CC1=CCCCC1.
What is the InChIKey of 4-(cyclohexen-1-yl)-3-methylbutan-1-ol?
The InChIKey is IOGBYRZHTZYOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-10(7-8-12)9-11-5-3-2-4-6-11/h5,10,12H,2-4,6-9H2,1H3.
What are the key properties of 4-(cyclohexen-1-yl)-3-methylbutan-1-ol?
4-(cyclohexen-1-yl)-3-methylbutan-1-ol has a molecular weight of 168.28 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexen-1-yl)-3-methylbutan-1-ol is sourced from PubChem (CID 66584171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).