4-(cyclopropylmethyl)-2,2-dimethyloxolan-3-one

C10H16O2 — CID 131123212

IUPAC4-(cyclopropylmethyl)-2,2-dimethyloxolan-3-one
SMILESCC1(C)OCC(CC2CC2)C1=O
InChIInChI=1S/C10H16O2/c1-10(2)9(11)8(6-12-10)5-7-3-4-7/h7-8H,3-6H2,1-2H3
InChIKeyIMVGGSTWTYZMEU-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.78
Rot. Bonds2

About 4-(cyclopropylmethyl)-2,2-dimethyloxolan-3-one

4-(cyclopropylmethyl)-2,2-dimethyloxolan-3-one (PubChem CID 131123212) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 4-(cyclopropylmethyl)-2,2-dimethyloxolan-3-one.

Molecular Properties

Compound Name4-(cyclopropylmethyl)-2,2-dimethyloxolan-3-one
PubChem CID131123212
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name4-(cyclopropylmethyl)-2,2-dimethyloxolan-3-one
SMILESCC1(C)OCC(CC2CC2)C1=O
InChIInChI=1S/C10H16O2/c1-10(2)9(11)8(6-12-10)5-7-3-4-7/h7-8H,3-6H2,1-2H3
InChIKeyIMVGGSTWTYZMEU-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

4-(2-hydroxyethyl)-2,2-dimethyloxolan-3-one
CID 130691249
4-(2,2-difluoroethyl)-2,2-dimethyloxolan-3-one
CID 130706345
4-(2-cyclobutylpropyl)-2,2-dimethyloxolan-3-one
CID 130825895
4-amino-2,2-dimethyloxolan-3-one
CID 126990472
4-(1-aminopropyl)-2,2-dimethyloxolan-3-one
CID 131115168
2,2-dimethyl-4-(1,3-thiazol-4-ylmethyl)oxolan-3-one
CID 130927246
2,2-dimethyl-4-(oxolan-3-yl)oxolan-3-one
CID 130927858
(4R)-4-(cyclopropylmethyl)-2,2-dimethyl-1,3-dioxolane
CID 123766397
methyl (3R)-5,5-dimethyl-4-oxooxolane-3-carboxylate
CID 124563040
4-(2-hydroxy-2-methylcyclopentyl)-2,2-dimethyloxolan-3-one
CID 130673696
(3S)-3-(cyclopropylmethyl)pyrrolidin-2-one
CID 129360656
CID 102247399
CID 102247399

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethyl)-2,2-dimethyloxolan-3-one?
The IUPAC name of 4-(cyclopropylmethyl)-2,2-dimethyloxolan-3-one (CID 131123212) is 4-(cyclopropylmethyl)-2,2-dimethyloxolan-3-one.
What is the SMILES notation for 4-(cyclopropylmethyl)-2,2-dimethyloxolan-3-one?
The canonical SMILES for 4-(cyclopropylmethyl)-2,2-dimethyloxolan-3-one is CC1(C)OCC(CC2CC2)C1=O.
What is the InChIKey of 4-(cyclopropylmethyl)-2,2-dimethyloxolan-3-one?
The InChIKey is IMVGGSTWTYZMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-10(2)9(11)8(6-12-10)5-7-3-4-7/h7-8H,3-6H2,1-2H3.
What are the key properties of 4-(cyclopropylmethyl)-2,2-dimethyloxolan-3-one?
4-(cyclopropylmethyl)-2,2-dimethyloxolan-3-one 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 4-(cyclopropylmethyl)-2,2-dimethyloxolan-3-one is sourced from PubChem (CID 131123212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).