2-propan-2-yl-5-propan-2-ylidenecyclopentan-1-one

C11H18O — CID 130027117

IUPAC2-propan-2-yl-5-propan-2-ylidenecyclopentan-1-one
SMILESCC(C)=C1CCC(C(C)C)C1=O
InChIInChI=1S/C11H18O/c1-7(2)9-5-6-10(8(3)4)11(9)12/h7,9H,5-6H2,1-4H3
InChIKeyXTIOAVDBIUXNAO-UHFFFAOYSA-N
MW166.26 g/mol
LogP2.96
Rot. Bonds1

About 2-propan-2-yl-5-propan-2-ylidenecyclopentan-1-one

2-propan-2-yl-5-propan-2-ylidenecyclopentan-1-one (PubChem CID 130027117) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 2-propan-2-yl-5-propan-2-ylidenecyclopentan-1-one.

Molecular Properties

Compound Name2-propan-2-yl-5-propan-2-ylidenecyclopentan-1-one
PubChem CID130027117
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name2-propan-2-yl-5-propan-2-ylidenecyclopentan-1-one
SMILESCC(C)=C1CCC(C(C)C)C1=O
InChIInChI=1S/C11H18O/c1-7(2)9-5-6-10(8(3)4)11(9)12/h7,9H,5-6H2,1-4H3
InChIKeyXTIOAVDBIUXNAO-UHFFFAOYSA-N
XLogP2.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

cis-(2S,3R)-2-hydroxy-3-methyl-6-propan-2-ylidenecyclohexan-1-one
CID 92973632
3-hydroxy-3-methyl-6-propan-2-ylcyclohexane-1,2-dione
CID 12972800
(2Z,3R)-2-(hydroxymethylidene)-3-methyl-6-propan-2-ylcyclohexan-1-one
CID 12627275
trans-(3R,6S)-3-methyl-2-[2-[(3R,6R)-6-methyl-2-oxo-3-propan-2-ylcyclohexylidene]ethylidene]-6-propan-2-ylcyclohexan-1-one
CID 7159155
2-methylidene-1,3-di(propan-2-yl)cyclopentane
CID 58567630
2-ethylidene-3-methyl-6-propan-2-ylcyclohexan-1-one
CID 72637375
2-[(1S)-1-hydroxyethyl]-3,4-dihydro-2H-naphthalen-1-one
CID 100977502
carbon monoxide;bis((5R)-5-methyl-2-propan-2-ylidenecyclohexan-1-one);molybdenum
CID 10917458
1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 12791779
ethyl 2-methyl-3-(2-methyl-5-propan-2-ylcyclopenten-1-yl)prop-2-enoate
CID 54087253
3-oxo-2-(4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)butanoic acid
CID 90737522
2-ethynyl-1-methyl-3-propan-2-ylcyclopentene
CID 14565314

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-5-propan-2-ylidenecyclopentan-1-one?
The IUPAC name of 2-propan-2-yl-5-propan-2-ylidenecyclopentan-1-one (CID 130027117) is 2-propan-2-yl-5-propan-2-ylidenecyclopentan-1-one.
What is the SMILES notation for 2-propan-2-yl-5-propan-2-ylidenecyclopentan-1-one?
The canonical SMILES for 2-propan-2-yl-5-propan-2-ylidenecyclopentan-1-one is CC(C)=C1CCC(C(C)C)C1=O.
What is the InChIKey of 2-propan-2-yl-5-propan-2-ylidenecyclopentan-1-one?
The InChIKey is XTIOAVDBIUXNAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-7(2)9-5-6-10(8(3)4)11(9)12/h7,9H,5-6H2,1-4H3.
What are the key properties of 2-propan-2-yl-5-propan-2-ylidenecyclopentan-1-one?
2-propan-2-yl-5-propan-2-ylidenecyclopentan-1-one has a molecular weight of 166.26 g/mol, XLogP of 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-5-propan-2-ylidenecyclopentan-1-one is sourced from PubChem (CID 130027117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).