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

C10H18O — CID 157464694

IUPAC3-methyl-1-(3-methylcyclobutyl)butan-2-one
SMILESCC1CC(CC(=O)C(C)C)C1
InChIInChI=1S/C10H18O/c1-7(2)10(11)6-9-4-8(3)5-9/h7-9H,4-6H2,1-3H3
InChIKeyJJQGCHISNQKSIR-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.65
Rot. Bonds3

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

3-methyl-1-(3-methylcyclobutyl)butan-2-one (PubChem CID 157464694) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 3-methyl-1-(3-methylcyclobutyl)butan-2-one.

Molecular Properties

Compound Name3-methyl-1-(3-methylcyclobutyl)butan-2-one
PubChem CID157464694
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name3-methyl-1-(3-methylcyclobutyl)butan-2-one
SMILESCC1CC(CC(=O)C(C)C)C1
InChIInChI=1S/C10H18O/c1-7(2)10(11)6-9-4-8(3)5-9/h7-9H,4-6H2,1-3H3
InChIKeyJJQGCHISNQKSIR-UHFFFAOYSA-N
XLogP2.65
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-1-(3-methylcyclopentyl)butan-2-one
CID 167693796
1-(3-fluorocyclobutyl)-3-methylbutan-2-one
CID 158355329
3-methyl-1-(3-methylcyclohexyl)butan-2-one;propane
CID 170590259
1-(3-methoxycyclobutyl)-3-methylbutan-2-one
CID 159895021
3-methyl-1-[4-(2-methylpropyl)cyclohexyl]butan-2-one
CID 153444618
2-(3-methylcyclobutyl)acetamide
CID 145484105
3-methyl-1-(1-propan-2-ylazetidin-3-yl)butan-2-one
CID 147367258
ethane;3-methyl-1-piperidin-4-ylbutan-2-one
CID 172604297
3-methyl-1-(4-methylpiperidin-2-yl)butan-2-one
CID 116685291
[3-(3-methyl-2-oxobutyl)cyclohexyl]boronic acid
CID 140651310
methane;4-(3-methyl-2-oxobutyl)cyclohexane-1-carboxamide
CID 159920641
3-methyl-1-(1-methyliodanuidylpiperidin-4-yl)butan-2-one
CID 172604494

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3-methylcyclobutyl)butan-2-one?
The IUPAC name of 3-methyl-1-(3-methylcyclobutyl)butan-2-one (CID 157464694) is 3-methyl-1-(3-methylcyclobutyl)butan-2-one.
What is the SMILES notation for 3-methyl-1-(3-methylcyclobutyl)butan-2-one?
The canonical SMILES for 3-methyl-1-(3-methylcyclobutyl)butan-2-one is CC1CC(CC(=O)C(C)C)C1.
What is the InChIKey of 3-methyl-1-(3-methylcyclobutyl)butan-2-one?
The InChIKey is JJQGCHISNQKSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-7(2)10(11)6-9-4-8(3)5-9/h7-9H,4-6H2,1-3H3.
What are the key properties of 3-methyl-1-(3-methylcyclobutyl)butan-2-one?
3-methyl-1-(3-methylcyclobutyl)butan-2-one has a molecular weight of 154.25 g/mol, XLogP of 2.65, 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-methylcyclobutyl)butan-2-one is sourced from PubChem (CID 157464694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).