(6R)-6-(3-methylbutanoyl)oxan-2-one

C10H16O3 — CID 157301081

IUPAC(6R)-6-(3-methylbutanoyl)oxan-2-one
SMILESCC(C)CC(=O)[C@H]1CCCC(=O)O1
InChIInChI=1S/C10H16O3/c1-7(2)6-8(11)9-4-3-5-10(12)13-9/h7,9H,3-6H2,1-2H3/t9-/m1/s1
InChIKeyKHOLXBACMOKTHY-SECBINFHSA-N
MW184.23 g/mol
LogP1.70
Rot. Bonds3

About (6R)-6-(3-methylbutanoyl)oxan-2-one

(6R)-6-(3-methylbutanoyl)oxan-2-one (PubChem CID 157301081) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is (6R)-6-(3-methylbutanoyl)oxan-2-one.

Molecular Properties

Compound Name(6R)-6-(3-methylbutanoyl)oxan-2-one
PubChem CID157301081
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name(6R)-6-(3-methylbutanoyl)oxan-2-one
SMILESCC(C)CC(=O)[C@H]1CCCC(=O)O1
InChIInChI=1S/C10H16O3/c1-7(2)6-8(11)9-4-3-5-10(12)13-9/h7,9H,3-6H2,1-2H3/t9-/m1/s1
InChIKeyKHOLXBACMOKTHY-SECBINFHSA-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 (6R)-6-(3-methylbutanoyl)oxan-2-one?
The IUPAC name of (6R)-6-(3-methylbutanoyl)oxan-2-one (CID 157301081) is (6R)-6-(3-methylbutanoyl)oxan-2-one.
What is the SMILES notation for (6R)-6-(3-methylbutanoyl)oxan-2-one?
The canonical SMILES for (6R)-6-(3-methylbutanoyl)oxan-2-one is CC(C)CC(=O)[C@H]1CCCC(=O)O1.
What is the InChIKey of (6R)-6-(3-methylbutanoyl)oxan-2-one?
The InChIKey is KHOLXBACMOKTHY-SECBINFHSA-N. The full InChI is InChI=1S/C10H16O3/c1-7(2)6-8(11)9-4-3-5-10(12)13-9/h7,9H,3-6H2,1-2H3/t9-/m1/s1.
What are the key properties of (6R)-6-(3-methylbutanoyl)oxan-2-one?
(6R)-6-(3-methylbutanoyl)oxan-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 (6R)-6-(3-methylbutanoyl)oxan-2-one is sourced from PubChem (CID 157301081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).