1-(cyclohexen-1-yl)but-3-en-1-ol

C10H16O — CID 13346445

IUPAC1-(cyclohexen-1-yl)but-3-en-1-ol
SMILESC=CCC(O)C1=CCCCC1
InChIInChI=1S/C10H16O/c1-2-6-10(11)9-7-4-3-5-8-9/h2,7,10-11H,1,3-6,8H2
InChIKeyZEYVUBUCMZCWIN-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.42
Rot. Bonds3

About 1-(cyclohexen-1-yl)but-3-en-1-ol

1-(cyclohexen-1-yl)but-3-en-1-ol (PubChem CID 13346445) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)but-3-en-1-ol.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)but-3-en-1-ol
PubChem CID13346445
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name1-(cyclohexen-1-yl)but-3-en-1-ol
SMILESC=CCC(O)C1=CCCCC1
InChIInChI=1S/C10H16O/c1-2-6-10(11)9-7-4-3-5-8-9/h2,7,10-11H,1,3-6,8H2
InChIKeyZEYVUBUCMZCWIN-UHFFFAOYSA-N
XLogP2.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.42
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 1-(cyclohexen-1-yl)but-3-en-1-ol?
The IUPAC name of 1-(cyclohexen-1-yl)but-3-en-1-ol (CID 13346445) is 1-(cyclohexen-1-yl)but-3-en-1-ol.
What is the SMILES notation for 1-(cyclohexen-1-yl)but-3-en-1-ol?
The canonical SMILES for 1-(cyclohexen-1-yl)but-3-en-1-ol is C=CCC(O)C1=CCCCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)but-3-en-1-ol?
The InChIKey is ZEYVUBUCMZCWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-2-6-10(11)9-7-4-3-5-8-9/h2,7,10-11H,1,3-6,8H2.
What are the key properties of 1-(cyclohexen-1-yl)but-3-en-1-ol?
1-(cyclohexen-1-yl)but-3-en-1-ol has a molecular weight of 152.24 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)but-3-en-1-ol is sourced from PubChem (CID 13346445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).