(4S)-5,5-dimethyl-4-(3-oxobutyl)oxolan-2-one

C10H16O3 — CID 5326287

IUPAC(4S)-5,5-dimethyl-4-(3-oxobutyl)oxolan-2-one
SMILESCC(=O)CC[C@H]1CC(=O)OC1(C)C
InChIInChI=1S/C10H16O3/c1-7(11)4-5-8-6-9(12)13-10(8,2)3/h8H,4-6H2,1-3H3/t8-/m0/s1
InChIKeyAWQSAIIDOMEEOD-QMMMGPOBSA-N
MW184.23 g/mol
LogP1.70
Rot. Bonds3

About (4S)-5,5-dimethyl-4-(3-oxobutyl)oxolan-2-one

(4S)-5,5-dimethyl-4-(3-oxobutyl)oxolan-2-one (PubChem CID 5326287) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is (4S)-5,5-dimethyl-4-(3-oxobutyl)oxolan-2-one.

Molecular Properties

Compound Name(4S)-5,5-dimethyl-4-(3-oxobutyl)oxolan-2-one
PubChem CID5326287
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name(4S)-5,5-dimethyl-4-(3-oxobutyl)oxolan-2-one
SMILESCC(=O)CC[C@H]1CC(=O)OC1(C)C
InChIInChI=1S/C10H16O3/c1-7(11)4-5-8-6-9(12)13-10(8,2)3/h8H,4-6H2,1-3H3/t8-/m0/s1
InChIKeyAWQSAIIDOMEEOD-QMMMGPOBSA-N
XLogP1.70
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-5,5-dimethyl-4-(3-oxobutyl)oxolan-2-one?
The IUPAC name of (4S)-5,5-dimethyl-4-(3-oxobutyl)oxolan-2-one (CID 5326287) is (4S)-5,5-dimethyl-4-(3-oxobutyl)oxolan-2-one.
What is the SMILES notation for (4S)-5,5-dimethyl-4-(3-oxobutyl)oxolan-2-one?
The canonical SMILES for (4S)-5,5-dimethyl-4-(3-oxobutyl)oxolan-2-one is CC(=O)CC[C@H]1CC(=O)OC1(C)C.
What is the InChIKey of (4S)-5,5-dimethyl-4-(3-oxobutyl)oxolan-2-one?
The InChIKey is AWQSAIIDOMEEOD-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H16O3/c1-7(11)4-5-8-6-9(12)13-10(8,2)3/h8H,4-6H2,1-3H3/t8-/m0/s1.
What are the key properties of (4S)-5,5-dimethyl-4-(3-oxobutyl)oxolan-2-one?
(4S)-5,5-dimethyl-4-(3-oxobutyl)oxolan-2-one has a molecular weight of 184.23 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5,5-dimethyl-4-(3-oxobutyl)oxolan-2-one is sourced from PubChem (CID 5326287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).