3-ethenyl-1,2,2-trimethylcyclopentane-1-carbaldehyde

C11H18O — CID 130035342

IUPAC3-ethenyl-1,2,2-trimethylcyclopentane-1-carbaldehyde
SMILESC=CC1CCC(C)(C=O)C1(C)C
InChIInChI=1S/C11H18O/c1-5-9-6-7-11(4,8-12)10(9,2)3/h5,8-9H,1,6-7H2,2-4H3
InChIKeyGFRZIQYOEUHDGR-UHFFFAOYSA-N
MW166.26 g/mol
LogP2.81
Rot. Bonds2

About 3-ethenyl-1,2,2-trimethylcyclopentane-1-carbaldehyde

3-ethenyl-1,2,2-trimethylcyclopentane-1-carbaldehyde (PubChem CID 130035342) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 3-ethenyl-1,2,2-trimethylcyclopentane-1-carbaldehyde.

Molecular Properties

Compound Name3-ethenyl-1,2,2-trimethylcyclopentane-1-carbaldehyde
PubChem CID130035342
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name3-ethenyl-1,2,2-trimethylcyclopentane-1-carbaldehyde
SMILESC=CC1CCC(C)(C=O)C1(C)C
InChIInChI=1S/C11H18O/c1-5-9-6-7-11(4,8-12)10(9,2)3/h5,8-9H,1,6-7H2,2-4H3
InChIKeyGFRZIQYOEUHDGR-UHFFFAOYSA-N
XLogP2.81
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.81
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-ethenyl-1-methylcyclobutyl)silane
CID 173136645
trans-(1R,3R)-1,2,2-trimethyl-3-[(1E,3E)-4-phenylbuta-1,3-dienyl]cyclopentane-1-carbaldehyde
CID 101452751
4-ethenyl-2,2,3,3-tetramethylcyclohexan-1-one
CID 141082850
2,2,3,3-tetramethylcyclopentane-1-carbaldehyde
CID 89229755
cis-(2S,3S)-2,3-bis(ethenyl)-2-methylcyclopentan-1-one
CID 86338731
trans-(2R,3S)-2,3-bis(ethenyl)-2-methylcyclopentan-1-one
CID 86338732
buta-1,3-diene;3-[(2Z,4E,6Z)-4-ethenylocta-2,4,6-trien-2-yl]-1,2,2-trimethylcyclopentane-1-carbaldehyde;methanethiol
CID 144503355
2-ethenyl-4-methyl-9-oxabicyclo[3.3.1]nonane-1,5-diol
CID 85352913
trans-(1R,2S)-2-ethenyl-1-methylcyclopentane-1-carbonyl chloride
CID 131853161
trans-(3R,5R)-3,5-bis(ethenyl)-4,4-dimethylcyclohexan-1-one
CID 11513853
3-ethenyl-2,2-dimethyloxolane
CID 70126391
2-[(E)-prop-1-enyl]cyclobutane-1,1-dicarbaldehyde
CID 46187735

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-1,2,2-trimethylcyclopentane-1-carbaldehyde?
The IUPAC name of 3-ethenyl-1,2,2-trimethylcyclopentane-1-carbaldehyde (CID 130035342) is 3-ethenyl-1,2,2-trimethylcyclopentane-1-carbaldehyde.
What is the SMILES notation for 3-ethenyl-1,2,2-trimethylcyclopentane-1-carbaldehyde?
The canonical SMILES for 3-ethenyl-1,2,2-trimethylcyclopentane-1-carbaldehyde is C=CC1CCC(C)(C=O)C1(C)C.
What is the InChIKey of 3-ethenyl-1,2,2-trimethylcyclopentane-1-carbaldehyde?
The InChIKey is GFRZIQYOEUHDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-5-9-6-7-11(4,8-12)10(9,2)3/h5,8-9H,1,6-7H2,2-4H3.
What are the key properties of 3-ethenyl-1,2,2-trimethylcyclopentane-1-carbaldehyde?
3-ethenyl-1,2,2-trimethylcyclopentane-1-carbaldehyde has a molecular weight of 166.26 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-1,2,2-trimethylcyclopentane-1-carbaldehyde is sourced from PubChem (CID 130035342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).