cis-(2R,3S)-3-methyl-2-propan-2-ylcyclopentan-1-one

C9H16O — CID 14379837

IUPACcis-(2R,3S)-3-methyl-2-propan-2-ylcyclopentan-1-one
SMILESCC(C)[C@H]1C(=O)CC[C@@H]1C
InChIInChI=1S/C9H16O/c1-6(2)9-7(3)4-5-8(9)10/h6-7,9H,4-5H2,1-3H3/t7-,9+/m0/s1
InChIKeyDIPHNTQKWNMMPU-IONNQARKSA-N
MW140.23 g/mol
LogP2.26
Rot. Bonds1

About cis-(2R,3S)-3-methyl-2-propan-2-ylcyclopentan-1-one

cis-(2R,3S)-3-methyl-2-propan-2-ylcyclopentan-1-one (PubChem CID 14379837) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is cis-(2R,3S)-3-methyl-2-propan-2-ylcyclopentan-1-one.

Molecular Properties

Compound Namecis-(2R,3S)-3-methyl-2-propan-2-ylcyclopentan-1-one
PubChem CID14379837
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Namecis-(2R,3S)-3-methyl-2-propan-2-ylcyclopentan-1-one
SMILESCC(C)[C@H]1C(=O)CC[C@@H]1C
InChIInChI=1S/C9H16O/c1-6(2)9-7(3)4-5-8(9)10/h6-7,9H,4-5H2,1-3H3/t7-,9+/m0/s1
InChIKeyDIPHNTQKWNMMPU-IONNQARKSA-N
XLogP2.26
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

cis-(2S,3R)-3-methyl-2-propan-2-ylcyclohexan-1-one
CID 126671040
3-oxo-2-propan-2-ylcyclopentane-1-carboxylic acid
CID 83816190
2-methanidyl-3-methylcyclopentan-1-one;uranium
CID 59889972
(1S,2S)-2-methyl-1-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 157427807
3-methyl-2-(6-methylocta-5,7-dien-4-yl)cyclopentan-1-one
CID 90717815
cis-methyl (1S,2R)-2-methyl-5-oxocyclopentane-1-carboxylate
CID 11040926
2-[(E)-but-2-enyl]-3-methylcyclopentan-1-one
CID 131233020
2-(1-hydroxyethyl)-3-methyl-6-propan-2-ylcyclohexan-1-one
CID 23443087
(2S,3R,4R)-2-chloro-3-hydroxy-4-methylcyclohexan-1-one
CID 10352008
4-hydroxy-3-methyl-2-propan-2-ylcyclopentan-1-one
CID 75089010
2-(3,4-dimethylcyclohexyl)-4-propan-2-ylcyclohexan-1-one
CID 79416622
(3aS,4R,6aR)-4-methyl-3,3a,4,5,6,6a-hexahydro-2H-pentalen-1-one
CID 14045037

Frequently Asked Questions

What is the IUPAC name of cis-(2R,3S)-3-methyl-2-propan-2-ylcyclopentan-1-one?
The IUPAC name of cis-(2R,3S)-3-methyl-2-propan-2-ylcyclopentan-1-one (CID 14379837) is cis-(2R,3S)-3-methyl-2-propan-2-ylcyclopentan-1-one.
What is the SMILES notation for cis-(2R,3S)-3-methyl-2-propan-2-ylcyclopentan-1-one?
The canonical SMILES for cis-(2R,3S)-3-methyl-2-propan-2-ylcyclopentan-1-one is CC(C)[C@H]1C(=O)CC[C@@H]1C.
What is the InChIKey of cis-(2R,3S)-3-methyl-2-propan-2-ylcyclopentan-1-one?
The InChIKey is DIPHNTQKWNMMPU-IONNQARKSA-N. The full InChI is InChI=1S/C9H16O/c1-6(2)9-7(3)4-5-8(9)10/h6-7,9H,4-5H2,1-3H3/t7-,9+/m0/s1.
What are the key properties of cis-(2R,3S)-3-methyl-2-propan-2-ylcyclopentan-1-one?
cis-(2R,3S)-3-methyl-2-propan-2-ylcyclopentan-1-one has a molecular weight of 140.23 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(2R,3S)-3-methyl-2-propan-2-ylcyclopentan-1-one is sourced from PubChem (CID 14379837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).