1-prop-2-enylcyclohexane-1,2-diol

C9H16O2 — CID 534396

IUPAC1-prop-2-enylcyclohexane-1,2-diol
SMILESC=CCC1(O)CCCCC1O
InChIInChI=1S/C9H16O2/c1-2-6-9(11)7-4-3-5-8(9)10/h2,8,10-11H,1,3-7H2
InChIKeyJGTTZKODGNZWHA-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.23
Rot. Bonds2

About 1-prop-2-enylcyclohexane-1,2-diol

1-prop-2-enylcyclohexane-1,2-diol (PubChem CID 534396) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 1-prop-2-enylcyclohexane-1,2-diol.

Molecular Properties

Compound Name1-prop-2-enylcyclohexane-1,2-diol
PubChem CID534396
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name1-prop-2-enylcyclohexane-1,2-diol
SMILESC=CCC1(O)CCCCC1O
InChIInChI=1S/C9H16O2/c1-2-6-9(11)7-4-3-5-8(9)10/h2,8,10-11H,1,3-7H2
InChIKeyJGTTZKODGNZWHA-UHFFFAOYSA-N
XLogP1.23
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-prop-2-enylcyclohexane-1,2-diol?
The IUPAC name of 1-prop-2-enylcyclohexane-1,2-diol (CID 534396) is 1-prop-2-enylcyclohexane-1,2-diol.
What is the SMILES notation for 1-prop-2-enylcyclohexane-1,2-diol?
The canonical SMILES for 1-prop-2-enylcyclohexane-1,2-diol is C=CCC1(O)CCCCC1O.
What is the InChIKey of 1-prop-2-enylcyclohexane-1,2-diol?
The InChIKey is JGTTZKODGNZWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-2-6-9(11)7-4-3-5-8(9)10/h2,8,10-11H,1,3-7H2.
What are the key properties of 1-prop-2-enylcyclohexane-1,2-diol?
1-prop-2-enylcyclohexane-1,2-diol has a molecular weight of 156.22 g/mol, XLogP of 1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enylcyclohexane-1,2-diol is sourced from PubChem (CID 534396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).