3-methyl-2-(6-methylocta-5,7-dien-4-yl)cyclopentan-1-one

C15H24O — CID 90717815

IUPAC3-methyl-2-(6-methylocta-5,7-dien-4-yl)cyclopentan-1-one
SMILESC=CC(C)=CC(CCC)C1C(=O)CCC1C
InChIInChI=1S/C15H24O/c1-5-7-13(10-11(3)6-2)15-12(4)8-9-14(15)16/h6,10,12-13,15H,2,5,7-9H2,1,3-4H3
InChIKeyWRYOISSKFFAIIE-UHFFFAOYSA-N
MW220.36 g/mol
LogP4.15
Rot. Bonds5

About 3-methyl-2-(6-methylocta-5,7-dien-4-yl)cyclopentan-1-one

3-methyl-2-(6-methylocta-5,7-dien-4-yl)cyclopentan-1-one (PubChem CID 90717815) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 3-methyl-2-(6-methylocta-5,7-dien-4-yl)cyclopentan-1-one.

Molecular Properties

Compound Name3-methyl-2-(6-methylocta-5,7-dien-4-yl)cyclopentan-1-one
PubChem CID90717815
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name3-methyl-2-(6-methylocta-5,7-dien-4-yl)cyclopentan-1-one
SMILESC=CC(C)=CC(CCC)C1C(=O)CCC1C
InChIInChI=1S/C15H24O/c1-5-7-13(10-11(3)6-2)15-12(4)8-9-14(15)16/h6,10,12-13,15H,2,5,7-9H2,1,3-4H3
InChIKeyWRYOISSKFFAIIE-UHFFFAOYSA-N
XLogP4.15
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

cis-(2R,3S)-3-methyl-2-propan-2-ylcyclopentan-1-one
CID 14379837
2-(2-oxocyclohexyl)pentanal
CID 174565613
(3R)-3-methyl-2-(2-methylidenebutyl)cyclopentan-1-one
CID 117069569
2-methanidyl-3-methylcyclopentan-1-one;uranium
CID 59889972
(2R,3R,4S)-3-ethenyl-2-[(E)-1-hydroxybut-2-enyl]-4-prop-1-en-2-ylcyclohexan-1-one
CID 134901283
2-[(E)-but-2-enyl]-3-methylcyclopentan-1-one
CID 131233020
cis-(2S,3R)-3-methyl-2-propan-2-ylcyclohexan-1-one
CID 126671040
(2R,3R,4R)-2,4-dimethyl-3-(3-methylbut-3-enyl)cyclohexan-1-one
CID 94037637
[3-(2-methylpropyl)-4-oxocyclohexyl] formate
CID 57179881
2-fluoro-3-methyl-4-prop-1-en-2-ylcyclohexan-1-one
CID 91511952
2-ethylcyclobutan-1-one
CID 534566
cis-ethyl (1S,2R)-2-methyl-5-oxocyclopentane-1-carboxylate
CID 15253094

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(6-methylocta-5,7-dien-4-yl)cyclopentan-1-one?
The IUPAC name of 3-methyl-2-(6-methylocta-5,7-dien-4-yl)cyclopentan-1-one (CID 90717815) is 3-methyl-2-(6-methylocta-5,7-dien-4-yl)cyclopentan-1-one.
What is the SMILES notation for 3-methyl-2-(6-methylocta-5,7-dien-4-yl)cyclopentan-1-one?
The canonical SMILES for 3-methyl-2-(6-methylocta-5,7-dien-4-yl)cyclopentan-1-one is C=CC(C)=CC(CCC)C1C(=O)CCC1C.
What is the InChIKey of 3-methyl-2-(6-methylocta-5,7-dien-4-yl)cyclopentan-1-one?
The InChIKey is WRYOISSKFFAIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-5-7-13(10-11(3)6-2)15-12(4)8-9-14(15)16/h6,10,12-13,15H,2,5,7-9H2,1,3-4H3.
What are the key properties of 3-methyl-2-(6-methylocta-5,7-dien-4-yl)cyclopentan-1-one?
3-methyl-2-(6-methylocta-5,7-dien-4-yl)cyclopentan-1-one has a molecular weight of 220.36 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(6-methylocta-5,7-dien-4-yl)cyclopentan-1-one is sourced from PubChem (CID 90717815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).