3-(2-methylidenecyclohexyl)propanal

C10H16O — CID 130024882

IUPAC3-(2-methylidenecyclohexyl)propanal
SMILESC=C1CCCCC1CCC=O
InChIInChI=1S/C10H16O/c1-9-5-2-3-6-10(9)7-4-8-11/h8,10H,1-7H2
InChIKeyVHNLTWFOWWICND-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.71
Rot. Bonds3

About 3-(2-methylidenecyclohexyl)propanal

3-(2-methylidenecyclohexyl)propanal (PubChem CID 130024882) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 3-(2-methylidenecyclohexyl)propanal.

Molecular Properties

Compound Name3-(2-methylidenecyclohexyl)propanal
PubChem CID130024882
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name3-(2-methylidenecyclohexyl)propanal
SMILESC=C1CCCCC1CCC=O
InChIInChI=1S/C10H16O/c1-9-5-2-3-6-10(9)7-4-8-11/h8,10H,1-7H2
InChIKeyVHNLTWFOWWICND-UHFFFAOYSA-N
XLogP2.71
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.71
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

3-Cyclohexene-1-carboxaldehyde, 4-(4-methyl-3-penten-1-yl)-
CID 93199
3-Cyclohexene-1-carboxaldehyde, 3-(4-methyl-3-penten-1-yl)-
CID 103649
p-Menth-3-en-7-al
CID 15601950
1,2-Dihydroperillaldehyde
CID 527108
alpha-Citronellal
CID 101628
alpha-Methyl-4-methylenecyclohexaneacetaldehyde
CID 20242350
alpha,4-Dimethyl-1-cyclohexene-1-acetaldehyde
CID 88425666
2-[(1R,3S)-2,2,3-trimethyl-6-methylidenecyclohexyl]acetaldehyde
CID 14489314
4-Methylidenecyclohexane-1-carbaldehyde
CID 15818136
alpha-Citronellal, (S)-
CID 72941617
2-(2,2-Dimethyl-6-methylenecyclohexyl)-acetaldehyde
CID 10888286
1-Allylcyclohexanecarbaldehyde
CID 11804963

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylidenecyclohexyl)propanal?
The IUPAC name of 3-(2-methylidenecyclohexyl)propanal (CID 130024882) is 3-(2-methylidenecyclohexyl)propanal.
What is the SMILES notation for 3-(2-methylidenecyclohexyl)propanal?
The canonical SMILES for 3-(2-methylidenecyclohexyl)propanal is C=C1CCCCC1CCC=O.
What is the InChIKey of 3-(2-methylidenecyclohexyl)propanal?
The InChIKey is VHNLTWFOWWICND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-9-5-2-3-6-10(9)7-4-8-11/h8,10H,1-7H2.
What are the key properties of 3-(2-methylidenecyclohexyl)propanal?
3-(2-methylidenecyclohexyl)propanal has a molecular weight of 152.24 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylidenecyclohexyl)propanal is sourced from PubChem (CID 130024882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).