cyclobutyl-(2-methyloxolan-3-yl)methanone

C10H16O2 — CID 115811561

IUPACcyclobutyl-(2-methyloxolan-3-yl)methanone
SMILESCC1OCCC1C(=O)C1CCC1
InChIInChI=1S/C10H16O2/c1-7-9(5-6-12-7)10(11)8-3-2-4-8/h7-9H,2-6H2,1H3
InChIKeyZYLBPCRABHVJCR-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.78
Rot. Bonds2

About cyclobutyl-(2-methyloxolan-3-yl)methanone

cyclobutyl-(2-methyloxolan-3-yl)methanone (PubChem CID 115811561) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is cyclobutyl-(2-methyloxolan-3-yl)methanone.

Molecular Properties

Compound Namecyclobutyl-(2-methyloxolan-3-yl)methanone
PubChem CID115811561
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Namecyclobutyl-(2-methyloxolan-3-yl)methanone
SMILESCC1OCCC1C(=O)C1CCC1
InChIInChI=1S/C10H16O2/c1-7-9(5-6-12-7)10(11)8-3-2-4-8/h7-9H,2-6H2,1H3
InChIKeyZYLBPCRABHVJCR-UHFFFAOYSA-N
XLogP1.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-ethylcyclohexyl)-(2-methyloxolan-3-yl)methanone
CID 114976477
(3R)-2-methyloxolane-3-carboxylic acid
CID 54532975
1-[(2S,3R)-2-methyloxolan-3-yl]ethanone
CID 102014015
(2-ethylcyclohexyl)-(2-methyloxolan-3-yl)methanone
CID 114973777
cyclohexyl-(3-methyloxolan-2-yl)methanone
CID 114962159
2,3-dimethyl-1-(2-methyloxolan-3-yl)butan-1-one
CID 130647263
1-(2-methyloxolane-3-carbonyl)piperidine-3-carbothioamide
CID 79758803
di(cyclobutyl)methanone
CID 15444458
2-methyl-N-prop-2-ynyloxolane-3-carboxamide
CID 79762562
(2-methyloxolan-3-yl)-morpholin-4-ylmethanone
CID 79759463
N-ethyl-2-methyloxolane-3-carboxamide
CID 79758522
1-(2-methyloxolan-3-yl)-2-methylsulfanylethanone
CID 79760065

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-(2-methyloxolan-3-yl)methanone?
The IUPAC name of cyclobutyl-(2-methyloxolan-3-yl)methanone (CID 115811561) is cyclobutyl-(2-methyloxolan-3-yl)methanone.
What is the SMILES notation for cyclobutyl-(2-methyloxolan-3-yl)methanone?
The canonical SMILES for cyclobutyl-(2-methyloxolan-3-yl)methanone is CC1OCCC1C(=O)C1CCC1.
What is the InChIKey of cyclobutyl-(2-methyloxolan-3-yl)methanone?
The InChIKey is ZYLBPCRABHVJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-7-9(5-6-12-7)10(11)8-3-2-4-8/h7-9H,2-6H2,1H3.
What are the key properties of cyclobutyl-(2-methyloxolan-3-yl)methanone?
cyclobutyl-(2-methyloxolan-3-yl)methanone has a molecular weight of 168.24 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-(2-methyloxolan-3-yl)methanone is sourced from PubChem (CID 115811561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).