4-methylidenecyclohexene-1-carbaldehyde

C8H10O — CID 130025302

IUPAC4-methylidenecyclohexene-1-carbaldehyde
SMILESC=C1CC=C(C=O)CC1
InChIInChI=1S/C8H10O/c1-7-2-4-8(6-9)5-3-7/h4,6H,1-3,5H2
InChIKeyDUQXNLJYUZTIAP-UHFFFAOYSA-N
MW122.17 g/mol
LogP1.85
Rot. Bonds1

About 4-methylidenecyclohexene-1-carbaldehyde

4-methylidenecyclohexene-1-carbaldehyde (PubChem CID 130025302) has the molecular formula C8H10O and a molecular weight of 122.17 g/mol. Its IUPAC name is 4-methylidenecyclohexene-1-carbaldehyde.

Molecular Properties

Compound Name4-methylidenecyclohexene-1-carbaldehyde
PubChem CID130025302
Molecular FormulaC8H10O
Molecular Weight122.17 g/mol
Exact Mass122.07
IUPAC Name4-methylidenecyclohexene-1-carbaldehyde
SMILESC=C1CC=C(C=O)CC1
InChIInChI=1S/C8H10O/c1-7-2-4-8(6-9)5-3-7/h4,6H,1-3,5H2
InChIKeyDUQXNLJYUZTIAP-UHFFFAOYSA-N
XLogP1.85
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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(6R)-5,5-dimethyl-1-methylidenespiro[5.5]undec-9-ene-9-carbaldehyde
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(8aR)-8a-methyl-3-prop-1-en-2-yl-2,4,5,8-tetrahydro-1H-azulene-6-carbaldehyde
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acetic acid;cyclohexene-1-carbaldehyde
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2-chloro-6-methylidenecyclohex-2-en-1-ol;cyclohexene-1-carbaldehyde
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4-methylidenecycloheptene
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Frequently Asked Questions

What is the IUPAC name of 4-methylidenecyclohexene-1-carbaldehyde?
The IUPAC name of 4-methylidenecyclohexene-1-carbaldehyde (CID 130025302) is 4-methylidenecyclohexene-1-carbaldehyde.
What is the SMILES notation for 4-methylidenecyclohexene-1-carbaldehyde?
The canonical SMILES for 4-methylidenecyclohexene-1-carbaldehyde is C=C1CC=C(C=O)CC1.
What is the InChIKey of 4-methylidenecyclohexene-1-carbaldehyde?
The InChIKey is DUQXNLJYUZTIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O/c1-7-2-4-8(6-9)5-3-7/h4,6H,1-3,5H2.
What are the key properties of 4-methylidenecyclohexene-1-carbaldehyde?
4-methylidenecyclohexene-1-carbaldehyde has a molecular weight of 122.17 g/mol, XLogP of 1.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidenecyclohexene-1-carbaldehyde is sourced from PubChem (CID 130025302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).