1-(3-methoxycyclobutyl)-3-methylbutan-2-one

C10H18O2 — CID 159895021

IUPAC1-(3-methoxycyclobutyl)-3-methylbutan-2-one
SMILESCOC1CC(CC(=O)C(C)C)C1
InChIInChI=1S/C10H18O2/c1-7(2)10(11)6-8-4-9(5-8)12-3/h7-9H,4-6H2,1-3H3
InChIKeyWSXQFLOFNHFOSC-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.03
Rot. Bonds4

About 1-(3-methoxycyclobutyl)-3-methylbutan-2-one

1-(3-methoxycyclobutyl)-3-methylbutan-2-one (PubChem CID 159895021) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 1-(3-methoxycyclobutyl)-3-methylbutan-2-one.

Molecular Properties

Compound Name1-(3-methoxycyclobutyl)-3-methylbutan-2-one
PubChem CID159895021
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name1-(3-methoxycyclobutyl)-3-methylbutan-2-one
SMILESCOC1CC(CC(=O)C(C)C)C1
InChIInChI=1S/C10H18O2/c1-7(2)10(11)6-8-4-9(5-8)12-3/h7-9H,4-6H2,1-3H3
InChIKeyWSXQFLOFNHFOSC-UHFFFAOYSA-N
XLogP2.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-(3-methylcyclobutyl)butan-2-one
CID 157464694
1-(3-fluorocyclobutyl)-3-methylbutan-2-one
CID 158355329
3-methyl-1-(3-methylcyclopentyl)butan-2-one
CID 167693796
1-(3-methoxycyclohexyl)oxy-3-methylbutan-2-one
CID 79396046
3-methyl-1-(1-propan-2-ylazetidin-3-yl)butan-2-one
CID 147367258
3-methyl-1-[4-(2-methylpropyl)cyclohexyl]butan-2-one
CID 153444618
ethane;3-methyl-1-piperidin-4-ylbutan-2-one
CID 172604297
3-methyl-1-(3-methylcyclohexyl)butan-2-one;propane
CID 170590259
1-(6-methoxyspiro[3.3]heptan-2-yl)oxy-3-methylbutan-2-one
CID 156680491
[3-(3-methyl-2-oxobutyl)cyclohexyl]boronic acid
CID 140651310
3-methyl-1-(1-methyliodanuidylpiperidin-4-yl)butan-2-one
CID 172604494
1-(3,3-difluorocyclopentyl)-3-methylbutan-2-one
CID 126974544

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxycyclobutyl)-3-methylbutan-2-one?
The IUPAC name of 1-(3-methoxycyclobutyl)-3-methylbutan-2-one (CID 159895021) is 1-(3-methoxycyclobutyl)-3-methylbutan-2-one.
What is the SMILES notation for 1-(3-methoxycyclobutyl)-3-methylbutan-2-one?
The canonical SMILES for 1-(3-methoxycyclobutyl)-3-methylbutan-2-one is COC1CC(CC(=O)C(C)C)C1.
What is the InChIKey of 1-(3-methoxycyclobutyl)-3-methylbutan-2-one?
The InChIKey is WSXQFLOFNHFOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-7(2)10(11)6-8-4-9(5-8)12-3/h7-9H,4-6H2,1-3H3.
What are the key properties of 1-(3-methoxycyclobutyl)-3-methylbutan-2-one?
1-(3-methoxycyclobutyl)-3-methylbutan-2-one has a molecular weight of 170.25 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxycyclobutyl)-3-methylbutan-2-one is sourced from PubChem (CID 159895021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).