1-cyclohexylbut-3-en-1-ol

C10H18O — CID 10942685

IUPAC1-cyclohexylbut-3-en-1-ol
SMILESC=CCC(O)C1CCCCC1
InChIInChI=1S/C10H18O/c1-2-6-10(11)9-7-4-3-5-8-9/h2,9-11H,1,3-8H2
InChIKeyMQLWBRPBWCWNPI-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.50
Rot. Bonds3

About 1-cyclohexylbut-3-en-1-ol

1-cyclohexylbut-3-en-1-ol (PubChem CID 10942685) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 1-cyclohexylbut-3-en-1-ol.

Molecular Properties

Compound Name1-cyclohexylbut-3-en-1-ol
PubChem CID10942685
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name1-cyclohexylbut-3-en-1-ol
SMILESC=CCC(O)C1CCCCC1
InChIInChI=1S/C10H18O/c1-2-6-10(11)9-7-4-3-5-8-9/h2,9-11H,1,3-8H2
InChIKeyMQLWBRPBWCWNPI-UHFFFAOYSA-N
XLogP2.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.50
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-cyclohexylbut-3-en-1-ol?
The IUPAC name of 1-cyclohexylbut-3-en-1-ol (CID 10942685) is 1-cyclohexylbut-3-en-1-ol.
What is the SMILES notation for 1-cyclohexylbut-3-en-1-ol?
The canonical SMILES for 1-cyclohexylbut-3-en-1-ol is C=CCC(O)C1CCCCC1.
What is the InChIKey of 1-cyclohexylbut-3-en-1-ol?
The InChIKey is MQLWBRPBWCWNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-2-6-10(11)9-7-4-3-5-8-9/h2,9-11H,1,3-8H2.
What are the key properties of 1-cyclohexylbut-3-en-1-ol?
1-cyclohexylbut-3-en-1-ol has a molecular weight of 154.25 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylbut-3-en-1-ol is sourced from PubChem (CID 10942685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).