3-methyl-1-[1-(3-methylbut-2-enyl)cyclopentyl]butan-2-one

C15H26O — CID 91128613

IUPAC3-methyl-1-[1-(3-methylbut-2-enyl)cyclopentyl]butan-2-one
SMILESCC(C)=CCC1(CC(=O)C(C)C)CCCC1
InChIInChI=1S/C15H26O/c1-12(2)7-10-15(8-5-6-9-15)11-14(16)13(3)4/h7,13H,5-6,8-11H2,1-4H3
InChIKeyGPDJUZPWERFTRV-UHFFFAOYSA-N
MW222.37 g/mol
LogP4.52
Rot. Bonds5

About 3-methyl-1-[1-(3-methylbut-2-enyl)cyclopentyl]butan-2-one

3-methyl-1-[1-(3-methylbut-2-enyl)cyclopentyl]butan-2-one (PubChem CID 91128613) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 3-methyl-1-[1-(3-methylbut-2-enyl)cyclopentyl]butan-2-one.

Molecular Properties

Compound Name3-methyl-1-[1-(3-methylbut-2-enyl)cyclopentyl]butan-2-one
PubChem CID91128613
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name3-methyl-1-[1-(3-methylbut-2-enyl)cyclopentyl]butan-2-one
SMILESCC(C)=CCC1(CC(=O)C(C)C)CCCC1
InChIInChI=1S/C15H26O/c1-12(2)7-10-15(8-5-6-9-15)11-14(16)13(3)4/h7,13H,5-6,8-11H2,1-4H3
InChIKeyGPDJUZPWERFTRV-UHFFFAOYSA-N
XLogP4.52
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[1-(3-methylbut-2-enyl)cyclohexyl]methanol
CID 121012756
5-[1-(3-methylbut-2-enyl)cyclobutyl]pentanal
CID 87388406
3-methyl-4-[1-(3-methylbut-2-enyl)cyclopropyl]butanal
CID 87388492
formaldehyde;2-[1-(3-methylbut-2-enyl)cyclopropyl]acetaldehyde
CID 87279246
1-(3-methyl-2-oxobutyl)cyclohexane-1-carboxamide
CID 134371730
[1-(3-methylbut-2-enyl)cyclopropyl]methanamine
CID 130515255
1-[1-(3-methylbut-2-enyl)cyclohexyl]propan-1-one
CID 59350170
N-(2-methylpropyl)-2-[1-[2-(2-methylpropylamino)-2-oxoethyl]cyclopentyl]acetamide
CID 134025352
1-ethenyl-1-(3-methylbut-2-enyl)cyclopentane
CID 90888982
1-[3-(hydroxymethyl)-3-(3-methylbut-2-enyl)piperidin-1-yl]-2-methylsulfanylethanone
CID 72907139
(1R,2S)-2-methyl-1-[1-(3-methylbut-2-enyl)cyclopropyl]butan-1-ol
CID 67125700
3-methylbut-2-enyl 2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate
CID 62707645

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[1-(3-methylbut-2-enyl)cyclopentyl]butan-2-one?
The IUPAC name of 3-methyl-1-[1-(3-methylbut-2-enyl)cyclopentyl]butan-2-one (CID 91128613) is 3-methyl-1-[1-(3-methylbut-2-enyl)cyclopentyl]butan-2-one.
What is the SMILES notation for 3-methyl-1-[1-(3-methylbut-2-enyl)cyclopentyl]butan-2-one?
The canonical SMILES for 3-methyl-1-[1-(3-methylbut-2-enyl)cyclopentyl]butan-2-one is CC(C)=CCC1(CC(=O)C(C)C)CCCC1.
What is the InChIKey of 3-methyl-1-[1-(3-methylbut-2-enyl)cyclopentyl]butan-2-one?
The InChIKey is GPDJUZPWERFTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O/c1-12(2)7-10-15(8-5-6-9-15)11-14(16)13(3)4/h7,13H,5-6,8-11H2,1-4H3.
What are the key properties of 3-methyl-1-[1-(3-methylbut-2-enyl)cyclopentyl]butan-2-one?
3-methyl-1-[1-(3-methylbut-2-enyl)cyclopentyl]butan-2-one has a molecular weight of 222.37 g/mol, XLogP of 4.52, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[1-(3-methylbut-2-enyl)cyclopentyl]butan-2-one is sourced from PubChem (CID 91128613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).