2-(4,4-dimethyl-2-prop-1-en-2-ylcyclopentyl)acetaldehyde

C12H20O — CID 72819468

IUPAC2-(4,4-dimethyl-2-prop-1-en-2-ylcyclopentyl)acetaldehyde
SMILESC=C(C)C1CC(C)(C)CC1CC=O
InChIInChI=1S/C12H20O/c1-9(2)11-8-12(3,4)7-10(11)5-6-13/h6,10-11H,1,5,7-8H2,2-4H3
InChIKeyLEKIEJGRRAYGPJ-UHFFFAOYSA-N
MW180.29 g/mol
LogP3.20
Rot. Bonds3

About 2-(4,4-dimethyl-2-prop-1-en-2-ylcyclopentyl)acetaldehyde

2-(4,4-dimethyl-2-prop-1-en-2-ylcyclopentyl)acetaldehyde (PubChem CID 72819468) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is 2-(4,4-dimethyl-2-prop-1-en-2-ylcyclopentyl)acetaldehyde.

Molecular Properties

Compound Name2-(4,4-dimethyl-2-prop-1-en-2-ylcyclopentyl)acetaldehyde
PubChem CID72819468
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name2-(4,4-dimethyl-2-prop-1-en-2-ylcyclopentyl)acetaldehyde
SMILESC=C(C)C1CC(C)(C)CC1CC=O
InChIInChI=1S/C12H20O/c1-9(2)11-8-12(3,4)7-10(11)5-6-13/h6,10-11H,1,5,7-8H2,2-4H3
InChIKeyLEKIEJGRRAYGPJ-UHFFFAOYSA-N
XLogP3.20
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.20
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-[(1R,2R,5R)-5-methyl-2-prop-1-en-2-ylcyclohexyl]acetaldehyde
CID 173016577
trans-(1S,2R)-4,4-dimethyl-2-prop-1-en-2-ylcyclopentan-1-ol
CID 130927341
1-[(1S,2R)-2-acetyl-4,4-dimethylcyclopentyl]ethanone
CID 164669308
2-(7,7-dimethyl-1,4-dioxaspiro[4.4]nonan-9-yl)acetaldehyde
CID 10910494
2-(3-hydroxy-3-methylcyclobutyl)acetaldehyde
CID 171787083
methyl 4-[(1S,2S)-2-acetyl-4,4-dimethylcyclopentyl]-3-oxobutanoate
CID 10244039
2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)acetaldehyde
CID 146512478
2-[(1S,2S)-5,5-dimethyl-2-octoxycyclohexyl]acetaldehyde
CID 57075289
trans-(1R,5R)-2,2-dimethyl-5-prop-1-en-2-ylcyclopentane-1-carbaldehyde
CID 131160822
2-[2,2-dimethyl-3-(2-oxopropyl)cyclopropyl]acetaldehyde
CID 10888310
2-(2-oxoethyl)cyclopropane-1-carboxylic acid
CID 91091325
cis-(1S,2R)-1-prop-1-en-2-yl-2-prop-2-enylcyclopentane
CID 11073596

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethyl-2-prop-1-en-2-ylcyclopentyl)acetaldehyde?
The IUPAC name of 2-(4,4-dimethyl-2-prop-1-en-2-ylcyclopentyl)acetaldehyde (CID 72819468) is 2-(4,4-dimethyl-2-prop-1-en-2-ylcyclopentyl)acetaldehyde.
What is the SMILES notation for 2-(4,4-dimethyl-2-prop-1-en-2-ylcyclopentyl)acetaldehyde?
The canonical SMILES for 2-(4,4-dimethyl-2-prop-1-en-2-ylcyclopentyl)acetaldehyde is C=C(C)C1CC(C)(C)CC1CC=O.
What is the InChIKey of 2-(4,4-dimethyl-2-prop-1-en-2-ylcyclopentyl)acetaldehyde?
The InChIKey is LEKIEJGRRAYGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O/c1-9(2)11-8-12(3,4)7-10(11)5-6-13/h6,10-11H,1,5,7-8H2,2-4H3.
What are the key properties of 2-(4,4-dimethyl-2-prop-1-en-2-ylcyclopentyl)acetaldehyde?
2-(4,4-dimethyl-2-prop-1-en-2-ylcyclopentyl)acetaldehyde has a molecular weight of 180.29 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethyl-2-prop-1-en-2-ylcyclopentyl)acetaldehyde is sourced from PubChem (CID 72819468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).