(3E)-3-(hydroxymethylidene)cyclohexene-1-carbaldehyde

C8H10O2 — CID 18459084

IUPAC(3E)-3-(hydroxymethylidene)cyclohexene-1-carbaldehyde
SMILESO=CC1=C/C(=C/O)CCC1
InChIInChI=1S/C8H10O2/c9-5-7-2-1-3-8(4-7)6-10/h4-6,9H,1-3H2/b7-5+
InChIKeyFHUXTLJHWSFXCF-FNORWQNLSA-N
MW138.17 g/mol
LogP1.74
Rot. Bonds1

About (3E)-3-(hydroxymethylidene)cyclohexene-1-carbaldehyde

(3E)-3-(hydroxymethylidene)cyclohexene-1-carbaldehyde (PubChem CID 18459084) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is (3E)-3-(hydroxymethylidene)cyclohexene-1-carbaldehyde.

Molecular Properties

Compound Name(3E)-3-(hydroxymethylidene)cyclohexene-1-carbaldehyde
PubChem CID18459084
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name(3E)-3-(hydroxymethylidene)cyclohexene-1-carbaldehyde
SMILESO=CC1=C/C(=C/O)CCC1
InChIInChI=1S/C8H10O2/c9-5-7-2-1-3-8(4-7)6-10/h4-6,9H,1-3H2/b7-5+
InChIKeyFHUXTLJHWSFXCF-FNORWQNLSA-N
XLogP1.74
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E)-3-(hydroxymethylidene)cyclohexene-1-carbaldehyde?
The IUPAC name of (3E)-3-(hydroxymethylidene)cyclohexene-1-carbaldehyde (CID 18459084) is (3E)-3-(hydroxymethylidene)cyclohexene-1-carbaldehyde.
What is the SMILES notation for (3E)-3-(hydroxymethylidene)cyclohexene-1-carbaldehyde?
The canonical SMILES for (3E)-3-(hydroxymethylidene)cyclohexene-1-carbaldehyde is O=CC1=C/C(=C/O)CCC1.
What is the InChIKey of (3E)-3-(hydroxymethylidene)cyclohexene-1-carbaldehyde?
The InChIKey is FHUXTLJHWSFXCF-FNORWQNLSA-N. The full InChI is InChI=1S/C8H10O2/c9-5-7-2-1-3-8(4-7)6-10/h4-6,9H,1-3H2/b7-5+.
What are the key properties of (3E)-3-(hydroxymethylidene)cyclohexene-1-carbaldehyde?
(3E)-3-(hydroxymethylidene)cyclohexene-1-carbaldehyde has a molecular weight of 138.17 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(hydroxymethylidene)cyclohexene-1-carbaldehyde is sourced from PubChem (CID 18459084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).