2-prop-2-enylcyclohexen-1-ol

C9H14O — CID 12755878

IUPAC2-prop-2-enylcyclohexen-1-ol
SMILESC=CCC1=C(O)CCCC1
InChIInChI=1S/C9H14O/c1-2-5-8-6-3-4-7-9(8)10/h2,10H,1,3-7H2
InChIKeySMWMIQFFIKDYBF-UHFFFAOYSA-N
MW138.21 g/mol
LogP2.95
Rot. Bonds2

About 2-prop-2-enylcyclohexen-1-ol

2-prop-2-enylcyclohexen-1-ol (PubChem CID 12755878) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 2-prop-2-enylcyclohexen-1-ol.

Molecular Properties

Compound Name2-prop-2-enylcyclohexen-1-ol
PubChem CID12755878
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name2-prop-2-enylcyclohexen-1-ol
SMILESC=CCC1=C(O)CCCC1
InChIInChI=1S/C9H14O/c1-2-5-8-6-3-4-7-9(8)10/h2,10H,1,3-7H2
InChIKeySMWMIQFFIKDYBF-UHFFFAOYSA-N
XLogP2.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.95
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 2-prop-2-enylcyclohexen-1-ol?
The IUPAC name of 2-prop-2-enylcyclohexen-1-ol (CID 12755878) is 2-prop-2-enylcyclohexen-1-ol.
What is the SMILES notation for 2-prop-2-enylcyclohexen-1-ol?
The canonical SMILES for 2-prop-2-enylcyclohexen-1-ol is C=CCC1=C(O)CCCC1.
What is the InChIKey of 2-prop-2-enylcyclohexen-1-ol?
The InChIKey is SMWMIQFFIKDYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-2-5-8-6-3-4-7-9(8)10/h2,10H,1,3-7H2.
What are the key properties of 2-prop-2-enylcyclohexen-1-ol?
2-prop-2-enylcyclohexen-1-ol has a molecular weight of 138.21 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enylcyclohexen-1-ol is sourced from PubChem (CID 12755878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).