2-[(1S)-1-methyl-3-propan-2-ylcyclopent-2-en-1-yl]acetaldehyde

C11H18O — CID 11263703

IUPAC2-[(1S)-1-methyl-3-propan-2-ylcyclopent-2-en-1-yl]acetaldehyde
SMILESCC(C)C1=C[C@](C)(CC=O)CC1
InChIInChI=1S/C11H18O/c1-9(2)10-4-5-11(3,8-10)6-7-12/h7-9H,4-6H2,1-3H3/t11-/m0/s1
InChIKeyBJFJASKDVFEAIB-NSHDSACASA-N
MW166.26 g/mol
LogP2.96
Rot. Bonds3

About 2-[(1S)-1-methyl-3-propan-2-ylcyclopent-2-en-1-yl]acetaldehyde

2-[(1S)-1-methyl-3-propan-2-ylcyclopent-2-en-1-yl]acetaldehyde (PubChem CID 11263703) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 2-[(1S)-1-methyl-3-propan-2-ylcyclopent-2-en-1-yl]acetaldehyde.

Molecular Properties

Compound Name2-[(1S)-1-methyl-3-propan-2-ylcyclopent-2-en-1-yl]acetaldehyde
PubChem CID11263703
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name2-[(1S)-1-methyl-3-propan-2-ylcyclopent-2-en-1-yl]acetaldehyde
SMILESCC(C)C1=C[C@](C)(CC=O)CC1
InChIInChI=1S/C11H18O/c1-9(2)10-4-5-11(3,8-10)6-7-12/h7-9H,4-6H2,1-3H3/t11-/m0/s1
InChIKeyBJFJASKDVFEAIB-NSHDSACASA-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

4,4-dimethyl-1-propan-2-ylcyclohexene;ethane
CID 169162938
7-propan-2-ylspiro[3.4]octa-2,7-diene
CID 123347624
2-(1-methylcyclopropyl)acetaldehyde
CID 13464501
10-methyl-3-propan-2-ylspiro[4.5]deca-3,9-dien-8-one
CID 129090920
4-methoxy-4-methyl-1-propan-2-ylcyclohexene
CID 14113117
N-(3,10-dimethyl-7-propan-2-ylspiro[4.5]dec-6-en-3-yl)formamide
CID 14336922
3-ethyl-9-propan-2-yl-3-azaspiro[5.5]undec-9-ene
CID 170581542
2-[1-(1-sulfanylethyl)cyclopropyl]acetaldehyde
CID 89329105
2-(1-methyl-2-oxo-5-propan-2-ylcyclopentyl)acetaldehyde
CID 86213229
(4R,5R)-5-[2-[(1S)-1,3-dimethyl-4-oxocyclohex-2-en-1-yl]ethyl]-5-methyl-4-propan-2-ylcyclopentene-1-carbaldehyde
CID 11392483
2-(1-propan-2-ylcyclohexyl)acetaldehyde
CID 57205409
2-(3,3-difluoro-1-methylcyclobutyl)acetaldehyde
CID 176712204

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-methyl-3-propan-2-ylcyclopent-2-en-1-yl]acetaldehyde?
The IUPAC name of 2-[(1S)-1-methyl-3-propan-2-ylcyclopent-2-en-1-yl]acetaldehyde (CID 11263703) is 2-[(1S)-1-methyl-3-propan-2-ylcyclopent-2-en-1-yl]acetaldehyde.
What is the SMILES notation for 2-[(1S)-1-methyl-3-propan-2-ylcyclopent-2-en-1-yl]acetaldehyde?
The canonical SMILES for 2-[(1S)-1-methyl-3-propan-2-ylcyclopent-2-en-1-yl]acetaldehyde is CC(C)C1=C[C@](C)(CC=O)CC1.
What is the InChIKey of 2-[(1S)-1-methyl-3-propan-2-ylcyclopent-2-en-1-yl]acetaldehyde?
The InChIKey is BJFJASKDVFEAIB-NSHDSACASA-N. The full InChI is InChI=1S/C11H18O/c1-9(2)10-4-5-11(3,8-10)6-7-12/h7-9H,4-6H2,1-3H3/t11-/m0/s1.
What are the key properties of 2-[(1S)-1-methyl-3-propan-2-ylcyclopent-2-en-1-yl]acetaldehyde?
2-[(1S)-1-methyl-3-propan-2-ylcyclopent-2-en-1-yl]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-[(1S)-1-methyl-3-propan-2-ylcyclopent-2-en-1-yl]acetaldehyde is sourced from PubChem (CID 11263703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).