(1R)-1-cyclobutyloxy-1-cyclopropyl-3-methylbutan-2-one

C12H20O2 — CID 176614533

IUPAC(1R)-1-cyclobutyloxy-1-cyclopropyl-3-methylbutan-2-one
SMILESCC(C)C(=O)[C@H](OC1CCC1)C1CC1
InChIInChI=1S/C12H20O2/c1-8(2)11(13)12(9-6-7-9)14-10-4-3-5-10/h8-10,12H,3-7H2,1-2H3/t12-/m1/s1
InChIKeyUVZCIJQHIAOUAJ-GFCCVEGCSA-N
MW196.29 g/mol
LogP2.56
Rot. Bonds5

About (1R)-1-cyclobutyloxy-1-cyclopropyl-3-methylbutan-2-one

(1R)-1-cyclobutyloxy-1-cyclopropyl-3-methylbutan-2-one (PubChem CID 176614533) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is (1R)-1-cyclobutyloxy-1-cyclopropyl-3-methylbutan-2-one.

Molecular Properties

Compound Name(1R)-1-cyclobutyloxy-1-cyclopropyl-3-methylbutan-2-one
PubChem CID176614533
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name(1R)-1-cyclobutyloxy-1-cyclopropyl-3-methylbutan-2-one
SMILESCC(C)C(=O)[C@H](OC1CCC1)C1CC1
InChIInChI=1S/C12H20O2/c1-8(2)11(13)12(9-6-7-9)14-10-4-3-5-10/h8-10,12H,3-7H2,1-2H3/t12-/m1/s1
InChIKeyUVZCIJQHIAOUAJ-GFCCVEGCSA-N
XLogP2.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-4-cyclopentyloxy-2-methylheptan-3-one
CID 176614620
bis(cyclobutyl 2-methylpropanoate);propan-2-yl 2-methylpropanoate
CID 160656164
methyl (2S)-2-cyclobutyloxypropanoate
CID 103337973
cyclobutyl (2S)-2-aminopropanoate
CID 45086620
methyl 2-cyclopropyl-2-(4,4-dimethylcyclohexyl)oxyacetate
CID 114340336
propan-2-yloxycycloundecane
CID 91254526
ethane;propan-2-yloxycyclobutane;propan-2-yloxycyclohexane;propan-2-yloxycyclopropane
CID 158392294
(4R)-4-cyclopropyl-2,5-dimethylhexan-3-one
CID 157057369
1-amino-1-cyclopropyl-3-methylbutan-2-one
CID 76751982
cyclopentyl (2S)-2-amino-2-cyclopropylacetate
CID 94554301
1-cyclopentyloxyethyl acetate
CID 58944284
1-cyclobutyloxy-3-methylbutan-2-one
CID 79396416

Frequently Asked Questions

What is the IUPAC name of (1R)-1-cyclobutyloxy-1-cyclopropyl-3-methylbutan-2-one?
The IUPAC name of (1R)-1-cyclobutyloxy-1-cyclopropyl-3-methylbutan-2-one (CID 176614533) is (1R)-1-cyclobutyloxy-1-cyclopropyl-3-methylbutan-2-one.
What is the SMILES notation for (1R)-1-cyclobutyloxy-1-cyclopropyl-3-methylbutan-2-one?
The canonical SMILES for (1R)-1-cyclobutyloxy-1-cyclopropyl-3-methylbutan-2-one is CC(C)C(=O)[C@H](OC1CCC1)C1CC1.
What is the InChIKey of (1R)-1-cyclobutyloxy-1-cyclopropyl-3-methylbutan-2-one?
The InChIKey is UVZCIJQHIAOUAJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H20O2/c1-8(2)11(13)12(9-6-7-9)14-10-4-3-5-10/h8-10,12H,3-7H2,1-2H3/t12-/m1/s1.
What are the key properties of (1R)-1-cyclobutyloxy-1-cyclopropyl-3-methylbutan-2-one?
(1R)-1-cyclobutyloxy-1-cyclopropyl-3-methylbutan-2-one has a molecular weight of 196.29 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-cyclobutyloxy-1-cyclopropyl-3-methylbutan-2-one is sourced from PubChem (CID 176614533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).