(3R)-3-methyl-2-(2-methylidenebutyl)cyclopentan-1-one

C11H18O — CID 117069569

IUPAC(3R)-3-methyl-2-(2-methylidenebutyl)cyclopentan-1-one
SMILESC=C(CC)CC1C(=O)CC[C@H]1C
InChIInChI=1S/C11H18O/c1-4-8(2)7-10-9(3)5-6-11(10)12/h9-10H,2,4-7H2,1,3H3/t9-,10?/m1/s1
InChIKeyXYTMWVRTPANMCD-YHMJZVADSA-N
MW166.26 g/mol
LogP2.96
Rot. Bonds3

About (3R)-3-methyl-2-(2-methylidenebutyl)cyclopentan-1-one

(3R)-3-methyl-2-(2-methylidenebutyl)cyclopentan-1-one (PubChem CID 117069569) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is (3R)-3-methyl-2-(2-methylidenebutyl)cyclopentan-1-one.

Molecular Properties

Compound Name(3R)-3-methyl-2-(2-methylidenebutyl)cyclopentan-1-one
PubChem CID117069569
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name(3R)-3-methyl-2-(2-methylidenebutyl)cyclopentan-1-one
SMILESC=C(CC)CC1C(=O)CC[C@H]1C
InChIInChI=1S/C11H18O/c1-4-8(2)7-10-9(3)5-6-11(10)12/h9-10H,2,4-7H2,1,3H3/t9-,10?/m1/s1
InChIKeyXYTMWVRTPANMCD-YHMJZVADSA-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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(2-methylidenebutyl)cyclopentan-1-one
CID 66046925
2-(3-hydroxypropyl)-3-methylcyclopentan-1-one
CID 130036338
4-tert-butyl-2-(2-methylidenebutyl)cyclohexan-1-one
CID 66047404
2,2-dimethyl-3-[(1S,2R)-2-methyl-5-oxocyclopentyl]propanal
CID 10241447
3-methyl-2-(methylsulfonylmethyl)cyclopentan-1-one
CID 18738791
2-[(E)-but-2-enyl]-3-methylcyclopentan-1-one
CID 131233020
2-but-3-ynyl-3-methylcyclopentan-1-one
CID 11275107
(2R,3R,4R)-2,4-dimethyl-3-(3-methylbut-3-enyl)cyclohexan-1-one
CID 94037637
(E)-4-(2-methyl-6-oxocyclohexyl)but-2-enal
CID 130035786
cis-(2R,3S)-2-[(3-hydroxyphenyl)methyl]-3-methylcyclopentan-1-one
CID 163487392
(1R,2S,3R)-3-ethyl-2-methyl-4-oxocyclohexane-1-carboxylic acid
CID 130777487
ethane;methane;1-[4-(2-methylidenebutyl)cyclohexyl]ethanone
CID 144975347

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-2-(2-methylidenebutyl)cyclopentan-1-one?
The IUPAC name of (3R)-3-methyl-2-(2-methylidenebutyl)cyclopentan-1-one (CID 117069569) is (3R)-3-methyl-2-(2-methylidenebutyl)cyclopentan-1-one.
What is the SMILES notation for (3R)-3-methyl-2-(2-methylidenebutyl)cyclopentan-1-one?
The canonical SMILES for (3R)-3-methyl-2-(2-methylidenebutyl)cyclopentan-1-one is C=C(CC)CC1C(=O)CC[C@H]1C.
What is the InChIKey of (3R)-3-methyl-2-(2-methylidenebutyl)cyclopentan-1-one?
The InChIKey is XYTMWVRTPANMCD-YHMJZVADSA-N. The full InChI is InChI=1S/C11H18O/c1-4-8(2)7-10-9(3)5-6-11(10)12/h9-10H,2,4-7H2,1,3H3/t9-,10?/m1/s1.
What are the key properties of (3R)-3-methyl-2-(2-methylidenebutyl)cyclopentan-1-one?
(3R)-3-methyl-2-(2-methylidenebutyl)cyclopentan-1-one 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 (3R)-3-methyl-2-(2-methylidenebutyl)cyclopentan-1-one is sourced from PubChem (CID 117069569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).