3-methyl-1-(3-methylcyclopentyl)butan-2-one

C11H20O — CID 167693796

IUPAC3-methyl-1-(3-methylcyclopentyl)butan-2-one
SMILESCC1CCC(CC(=O)C(C)C)C1
InChIInChI=1S/C11H20O/c1-8(2)11(12)7-10-5-4-9(3)6-10/h8-10H,4-7H2,1-3H3
InChIKeyBKCZXSJEKZZQGN-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.04
Rot. Bonds3

About 3-methyl-1-(3-methylcyclopentyl)butan-2-one

3-methyl-1-(3-methylcyclopentyl)butan-2-one (PubChem CID 167693796) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 3-methyl-1-(3-methylcyclopentyl)butan-2-one.

Molecular Properties

Compound Name3-methyl-1-(3-methylcyclopentyl)butan-2-one
PubChem CID167693796
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name3-methyl-1-(3-methylcyclopentyl)butan-2-one
SMILESCC1CCC(CC(=O)C(C)C)C1
InChIInChI=1S/C11H20O/c1-8(2)11(12)7-10-5-4-9(3)6-10/h8-10H,4-7H2,1-3H3
InChIKeyBKCZXSJEKZZQGN-UHFFFAOYSA-N
XLogP3.04
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-1-(3-methylcyclohexyl)butan-2-one;propane
CID 170590259
3-methyl-1-(3-methylcyclobutyl)butan-2-one
CID 157464694
3-methyl-1-[4-(2-methylpropyl)cyclohexyl]butan-2-one
CID 153444618
1-(3-fluorocyclobutyl)-3-methylbutan-2-one
CID 158355329
3-methyl-1-(4-methylpiperidin-2-yl)butan-2-one
CID 116685291
3-methyl-1-(3-phenylcyclopentyl)butan-2-one
CID 155207615
2-[[2-(3-methylcyclopentyl)acetyl]-propan-2-ylamino]acetic acid
CID 120580887
1-(3-methoxycyclobutyl)-3-methylbutan-2-one
CID 159895021
[3-(3-methyl-2-oxobutyl)cyclohexyl]boronic acid
CID 140651310
methane;4-(3-methyl-2-oxobutyl)cyclohexane-1-carboxamide
CID 159920641
ethane;3-methyl-1-piperidin-4-ylbutan-2-one
CID 172604297
3-methyl-1-[(1R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxybutan-2-one
CID 130410144

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3-methylcyclopentyl)butan-2-one?
The IUPAC name of 3-methyl-1-(3-methylcyclopentyl)butan-2-one (CID 167693796) is 3-methyl-1-(3-methylcyclopentyl)butan-2-one.
What is the SMILES notation for 3-methyl-1-(3-methylcyclopentyl)butan-2-one?
The canonical SMILES for 3-methyl-1-(3-methylcyclopentyl)butan-2-one is CC1CCC(CC(=O)C(C)C)C1.
What is the InChIKey of 3-methyl-1-(3-methylcyclopentyl)butan-2-one?
The InChIKey is BKCZXSJEKZZQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-8(2)11(12)7-10-5-4-9(3)6-10/h8-10H,4-7H2,1-3H3.
What are the key properties of 3-methyl-1-(3-methylcyclopentyl)butan-2-one?
3-methyl-1-(3-methylcyclopentyl)butan-2-one has a molecular weight of 168.28 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3-methylcyclopentyl)butan-2-one is sourced from PubChem (CID 167693796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).