2-(1-ethenyl-4-methylcyclohexyl)acetaldehyde

C11H18O — CID 130026349

IUPAC2-(1-ethenyl-4-methylcyclohexyl)acetaldehyde
SMILESC=CC1(CC=O)CCC(C)CC1
InChIInChI=1S/C11H18O/c1-3-11(8-9-12)6-4-10(2)5-7-11/h3,9-10H,1,4-8H2,2H3
InChIKeyNGDQDPFEZDTRRH-UHFFFAOYSA-N
MW166.26 g/mol
LogP2.96
Rot. Bonds3

About 2-(1-ethenyl-4-methylcyclohexyl)acetaldehyde

2-(1-ethenyl-4-methylcyclohexyl)acetaldehyde (PubChem CID 130026349) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 2-(1-ethenyl-4-methylcyclohexyl)acetaldehyde.

Molecular Properties

Compound Name2-(1-ethenyl-4-methylcyclohexyl)acetaldehyde
PubChem CID130026349
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name2-(1-ethenyl-4-methylcyclohexyl)acetaldehyde
SMILESC=CC1(CC=O)CCC(C)CC1
InChIInChI=1S/C11H18O/c1-3-11(8-9-12)6-4-10(2)5-7-11/h3,9-10H,1,4-8H2,2H3
InChIKeyNGDQDPFEZDTRRH-UHFFFAOYSA-N
XLogP2.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.96
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

2-(1-ethenyl-4-methylcyclohexyl)acetic acid
CID 165456909
2-(1-amino-4-methylcyclohexyl)acetaldehyde
CID 167728630
4-methyl-1-(3-methylbut-2-enyl)cyclohexane-1-carbaldehyde
CID 130743601
3-(1,4-dimethylcyclohexyl)propanal
CID 167495572
1-(2-hydroxypropyl)-4-methylcyclohexane-1-carbaldehyde
CID 130630803
1-ethenyl-4-methyl-1-propoxycyclohexane
CID 144519084
2-(1-methylcyclopropyl)acetaldehyde
CID 13464501
1-ethenyl-3-methylcyclopentane-1-sulfonic acid
CID 118958954
1-(2-hydroxyethyl)-3-methylcyclopentane-1-carbaldehyde
CID 131143277
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-4-methylcyclohexane-1-carbaldehyde
CID 113336149
3-methyl-1-prop-2-enylcyclopentan-1-ol
CID 10034708
5-methyl-1-prop-2-enylcyclooctan-1-amine
CID 143705620

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethenyl-4-methylcyclohexyl)acetaldehyde?
The IUPAC name of 2-(1-ethenyl-4-methylcyclohexyl)acetaldehyde (CID 130026349) is 2-(1-ethenyl-4-methylcyclohexyl)acetaldehyde.
What is the SMILES notation for 2-(1-ethenyl-4-methylcyclohexyl)acetaldehyde?
The canonical SMILES for 2-(1-ethenyl-4-methylcyclohexyl)acetaldehyde is C=CC1(CC=O)CCC(C)CC1.
What is the InChIKey of 2-(1-ethenyl-4-methylcyclohexyl)acetaldehyde?
The InChIKey is NGDQDPFEZDTRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-3-11(8-9-12)6-4-10(2)5-7-11/h3,9-10H,1,4-8H2,2H3.
What are the key properties of 2-(1-ethenyl-4-methylcyclohexyl)acetaldehyde?
2-(1-ethenyl-4-methylcyclohexyl)acetaldehyde has a molecular weight of 166.26 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethenyl-4-methylcyclohexyl)acetaldehyde is sourced from PubChem (CID 130026349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).