3-cyclobutyl-1-(1,3-dioxan-2-yl)propan-1-one

C11H18O3 — CID 146401048

IUPAC3-cyclobutyl-1-(1,3-dioxan-2-yl)propan-1-one
SMILESO=C(CCC1CCC1)C1OCCCO1
InChIInChI=1S/C11H18O3/c12-10(6-5-9-3-1-4-9)11-13-7-2-8-14-11/h9,11H,1-8H2
InChIKeyWCNWCMFRVWRPMF-UHFFFAOYSA-N
MW198.26 g/mol
LogP1.90
Rot. Bonds4

About 3-cyclobutyl-1-(1,3-dioxan-2-yl)propan-1-one

3-cyclobutyl-1-(1,3-dioxan-2-yl)propan-1-one (PubChem CID 146401048) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 3-cyclobutyl-1-(1,3-dioxan-2-yl)propan-1-one.

Molecular Properties

Compound Name3-cyclobutyl-1-(1,3-dioxan-2-yl)propan-1-one
PubChem CID146401048
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name3-cyclobutyl-1-(1,3-dioxan-2-yl)propan-1-one
SMILESO=C(CCC1CCC1)C1OCCCO1
InChIInChI=1S/C11H18O3/c12-10(6-5-9-3-1-4-9)11-13-7-2-8-14-11/h9,11H,1-8H2
InChIKeyWCNWCMFRVWRPMF-UHFFFAOYSA-N
XLogP1.90
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,3-dioxan-2-yl)heptan-1-one
CID 10679536
3-cycloheptyl-1-cyclopropylpropan-1-one
CID 82923813
4,4-dimethyl-1-(oxan-3-yl)pentan-3-one
CID 107137760
2-cyclobutyl-1-(oxan-2-yl)ethanone
CID 114974038
1-cyclopropyl-3-(oxan-2-yl)propan-1-one
CID 79416719
sodium 3-cyclopentylpropanoate
CID 162201470
calcium;3-cyclopentylpropanoic acid;hydride
CID 173013179
3-(1,3-dioxan-2-yl)-1-(8-thiabicyclo[3.2.1]octan-3-yl)propan-1-one
CID 171944269
1-(4-aminocyclohexyl)-3-(oxolan-2-yl)propan-1-one
CID 116557342
(2R)-4-(3-cyclobutylpropanoyl)morpholine-2-carboxylic acid
CID 129397543
1-(3-ethylcyclohexyl)-4,4-dimethylpentan-3-one
CID 64503603
4-cyclohexyl-1-(oxan-4-yl)butan-2-one
CID 114969110

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-1-(1,3-dioxan-2-yl)propan-1-one?
The IUPAC name of 3-cyclobutyl-1-(1,3-dioxan-2-yl)propan-1-one (CID 146401048) is 3-cyclobutyl-1-(1,3-dioxan-2-yl)propan-1-one.
What is the SMILES notation for 3-cyclobutyl-1-(1,3-dioxan-2-yl)propan-1-one?
The canonical SMILES for 3-cyclobutyl-1-(1,3-dioxan-2-yl)propan-1-one is O=C(CCC1CCC1)C1OCCCO1.
What is the InChIKey of 3-cyclobutyl-1-(1,3-dioxan-2-yl)propan-1-one?
The InChIKey is WCNWCMFRVWRPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c12-10(6-5-9-3-1-4-9)11-13-7-2-8-14-11/h9,11H,1-8H2.
What are the key properties of 3-cyclobutyl-1-(1,3-dioxan-2-yl)propan-1-one?
3-cyclobutyl-1-(1,3-dioxan-2-yl)propan-1-one has a molecular weight of 198.26 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-1-(1,3-dioxan-2-yl)propan-1-one is sourced from PubChem (CID 146401048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).