1-(2,2,3,3-tetramethylcyclopropyl)ethanone

C9H16O — CID 10630588

IUPAC1-(2,2,3,3-tetramethylcyclopropyl)ethanone
SMILESCC(=O)C1C(C)(C)C1(C)C
InChIInChI=1S/C9H16O/c1-6(10)7-8(2,3)9(7,4)5/h7H,1-5H3
InChIKeyFDQDDHZRPQVKAZ-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.26
Rot. Bonds1

About 1-(2,2,3,3-tetramethylcyclopropyl)ethanone

1-(2,2,3,3-tetramethylcyclopropyl)ethanone (PubChem CID 10630588) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 1-(2,2,3,3-tetramethylcyclopropyl)ethanone.

Molecular Properties

Compound Name1-(2,2,3,3-tetramethylcyclopropyl)ethanone
PubChem CID10630588
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name1-(2,2,3,3-tetramethylcyclopropyl)ethanone
SMILESCC(=O)C1C(C)(C)C1(C)C
InChIInChI=1S/C9H16O/c1-6(10)7-8(2,3)9(7,4)5/h7H,1-5H3
InChIKeyFDQDDHZRPQVKAZ-UHFFFAOYSA-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

3,4-Dimethyl-2-hexanone
CID 89184
3-Tert-butylcyclobutan-1-one
CID 10931442
1-(2,2-Dimethylcyclopropyl)ethan-1-one
CID 12452048
3,4,4-Trimethylpentan-2-one
CID 219506
3,3-Dimethyl-2-hexanone
CID 33333
2,2,4,4,5,5-Hexamethylhexan-3-one
CID 219507
3,3,4-Trimethyl-2-pentanone
CID 219508
4,4,5,5-Tetramethyl-hexan-2-one
CID 12421377
4,4-Dimethylhexan-2-one
CID 12757216
3,3,5,5-Tetramethyl-2-hexanone
CID 22274767
2,2-Dimethyl-4-ethyl-3-hexanone
CID 15584308
2,2,5-Trimethylheptan-3-one
CID 58841474

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,3,3-tetramethylcyclopropyl)ethanone?
The IUPAC name of 1-(2,2,3,3-tetramethylcyclopropyl)ethanone (CID 10630588) is 1-(2,2,3,3-tetramethylcyclopropyl)ethanone.
What is the SMILES notation for 1-(2,2,3,3-tetramethylcyclopropyl)ethanone?
The canonical SMILES for 1-(2,2,3,3-tetramethylcyclopropyl)ethanone is CC(=O)C1C(C)(C)C1(C)C.
What is the InChIKey of 1-(2,2,3,3-tetramethylcyclopropyl)ethanone?
The InChIKey is FDQDDHZRPQVKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-6(10)7-8(2,3)9(7,4)5/h7H,1-5H3.
What are the key properties of 1-(2,2,3,3-tetramethylcyclopropyl)ethanone?
1-(2,2,3,3-tetramethylcyclopropyl)ethanone 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 1-(2,2,3,3-tetramethylcyclopropyl)ethanone is sourced from PubChem (CID 10630588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).