1-(3-propan-2-yl-1-bicyclo[1.1.1]pentanyl)ethanone

C10H16O — CID 167326775

IUPAC1-(3-propan-2-yl-1-bicyclo[1.1.1]pentanyl)ethanone
SMILESCC(=O)C12CC(C(C)C)(C1)C2
InChIInChI=1S/C10H16O/c1-7(2)9-4-10(5-9,6-9)8(3)11/h7H,4-6H2,1-3H3
InChIKeyFOZVPXLOGWQUNF-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.40
Rot. Bonds2

About 1-(3-propan-2-yl-1-bicyclo[1.1.1]pentanyl)ethanone

1-(3-propan-2-yl-1-bicyclo[1.1.1]pentanyl)ethanone (PubChem CID 167326775) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 1-(3-propan-2-yl-1-bicyclo[1.1.1]pentanyl)ethanone.

Molecular Properties

Compound Name1-(3-propan-2-yl-1-bicyclo[1.1.1]pentanyl)ethanone
PubChem CID167326775
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name1-(3-propan-2-yl-1-bicyclo[1.1.1]pentanyl)ethanone
SMILESCC(=O)C12CC(C(C)C)(C1)C2
InChIInChI=1S/C10H16O/c1-7(2)9-4-10(5-9,6-9)8(3)11/h7H,4-6H2,1-3H3
InChIKeyFOZVPXLOGWQUNF-UHFFFAOYSA-N
XLogP2.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(3-propan-2-yl-1-bicyclo[1.1.1]pentanyl)ethanone with MolForge

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Related Compounds

3-propan-2-ylbicyclo[1.1.1]pentane-1-carboxamide
CID 134598960
1-(3-acetyl-1-bicyclo[1.1.1]pentanyl)ethanone
CID 11159413
1,3,5,7-tetra(propan-2-yl)adamantane
CID 11381171
7-acetyladamantane-1,3,5-tricarboxylic acid
CID 18323311
1-(4-acetyl-1-bicyclo[2.2.2]octanyl)ethanone
CID 13227637
1-(3-propan-2-yl-1-bicyclo[1.1.1]pentanyl)ethanol
CID 176865139
1-[5-[hydroxy(methoxy)methyl]-1-bicyclo[3.2.1]octanyl]ethanone
CID 123363505
1-(1-but-3-yn-2-ylcyclopropyl)ethanone
CID 90830539
1-(3-propan-2-yl-1-adamantyl)propan-1-one
CID 12659808
methyl 3-(1-hydroxyethyl)bicyclo[1.1.1]pentane-1-carboxylate
CID 178027632
(E)-5-(dimethylamino)-1-(3-propan-2-yl-1-bicyclo[1.1.1]pentanyl)pent-3-en-2-one
CID 159769635
1-propan-2-yl-4-prop-1-en-2-ylbicyclo[2.2.2]octane
CID 143346780

Frequently Asked Questions

What is the IUPAC name of 1-(3-propan-2-yl-1-bicyclo[1.1.1]pentanyl)ethanone?
The IUPAC name of 1-(3-propan-2-yl-1-bicyclo[1.1.1]pentanyl)ethanone (CID 167326775) is 1-(3-propan-2-yl-1-bicyclo[1.1.1]pentanyl)ethanone.
What is the SMILES notation for 1-(3-propan-2-yl-1-bicyclo[1.1.1]pentanyl)ethanone?
The canonical SMILES for 1-(3-propan-2-yl-1-bicyclo[1.1.1]pentanyl)ethanone is CC(=O)C12CC(C(C)C)(C1)C2.
What is the InChIKey of 1-(3-propan-2-yl-1-bicyclo[1.1.1]pentanyl)ethanone?
The InChIKey is FOZVPXLOGWQUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-7(2)9-4-10(5-9,6-9)8(3)11/h7H,4-6H2,1-3H3.
What are the key properties of 1-(3-propan-2-yl-1-bicyclo[1.1.1]pentanyl)ethanone?
1-(3-propan-2-yl-1-bicyclo[1.1.1]pentanyl)ethanone has a molecular weight of 152.24 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propan-2-yl-1-bicyclo[1.1.1]pentanyl)ethanone is sourced from PubChem (CID 167326775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).