(4E)-4-propylidenecyclohexane-1,2-diol

C9H16O2 — CID 68778200

IUPAC(4E)-4-propylidenecyclohexane-1,2-diol
SMILESCC/C=C1\CCC(O)C(O)C1
InChIInChI=1S/C9H16O2/c1-2-3-7-4-5-8(10)9(11)6-7/h3,8-11H,2,4-6H2,1H3/b7-3+
InChIKeyHDYUTWKJTUBXMO-XVNBXDOJSA-N
MW156.22 g/mol
LogP1.23
Rot. Bonds1

About (4E)-4-propylidenecyclohexane-1,2-diol

(4E)-4-propylidenecyclohexane-1,2-diol (PubChem CID 68778200) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is (4E)-4-propylidenecyclohexane-1,2-diol.

Molecular Properties

Compound Name(4E)-4-propylidenecyclohexane-1,2-diol
PubChem CID68778200
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name(4E)-4-propylidenecyclohexane-1,2-diol
SMILESCC/C=C1\CCC(O)C(O)C1
InChIInChI=1S/C9H16O2/c1-2-3-7-4-5-8(10)9(11)6-7/h3,8-11H,2,4-6H2,1H3/b7-3+
InChIKeyHDYUTWKJTUBXMO-XVNBXDOJSA-N
XLogP1.23
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
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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Related Compounds

(3Z)-1-methyl-3-propylidenecyclopentane
CID 144536317
(1S,3E)-3-propylidenecyclohexan-1-ol
CID 88974984
3-propylidenecyclopentan-1-amine
CID 79876230
bis(but-2-ene);1-methyl-3-propylidenecyclopentane
CID 173439667
(4E)-2-ethoxy-4-ethylidenecyclohexan-1-ol
CID 118659504
(4E)-4-ethylidene-2-propoxycyclohexan-1-ol
CID 118659403
2-(4-propylidenecyclohexyl)acetate
CID 18787857
1-(2-bromoethyl)-4-propylidenecyclohexane
CID 18787862
ethyl 4-propylidenecyclohexane-1-carboxylate
CID 123984954
(4E)-2-butan-2-yloxy-4-ethylidenecyclohexan-1-ol
CID 118673033
1,3-di(propylidene)cyclobutane
CID 123878518
(1R,3Z)-4-methylidene-3-propylidenecyclohexan-1-ol
CID 88974948

Frequently Asked Questions

What is the IUPAC name of (4E)-4-propylidenecyclohexane-1,2-diol?
The IUPAC name of (4E)-4-propylidenecyclohexane-1,2-diol (CID 68778200) is (4E)-4-propylidenecyclohexane-1,2-diol.
What is the SMILES notation for (4E)-4-propylidenecyclohexane-1,2-diol?
The canonical SMILES for (4E)-4-propylidenecyclohexane-1,2-diol is CC/C=C1\CCC(O)C(O)C1.
What is the InChIKey of (4E)-4-propylidenecyclohexane-1,2-diol?
The InChIKey is HDYUTWKJTUBXMO-XVNBXDOJSA-N. The full InChI is InChI=1S/C9H16O2/c1-2-3-7-4-5-8(10)9(11)6-7/h3,8-11H,2,4-6H2,1H3/b7-3+.
What are the key properties of (4E)-4-propylidenecyclohexane-1,2-diol?
(4E)-4-propylidenecyclohexane-1,2-diol has a molecular weight of 156.22 g/mol, XLogP of 1.23, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-propylidenecyclohexane-1,2-diol is sourced from PubChem (CID 68778200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).