(4R)-4-butyl-5,5-dimethyloxolan-2-one

C10H18O2 — CID 10997473

IUPAC(4R)-4-butyl-5,5-dimethyloxolan-2-one
SMILESCCCC[C@@H]1CC(=O)OC1(C)C
InChIInChI=1S/C10H18O2/c1-4-5-6-8-7-9(11)12-10(8,2)3/h8H,4-7H2,1-3H3/t8-/m1/s1
InChIKeyBWMPWYNQCBDHCW-MRVPVSSYSA-N
MW170.25 g/mol
LogP2.52
Rot. Bonds3

About (4R)-4-butyl-5,5-dimethyloxolan-2-one

(4R)-4-butyl-5,5-dimethyloxolan-2-one (PubChem CID 10997473) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (4R)-4-butyl-5,5-dimethyloxolan-2-one.

Molecular Properties

Compound Name(4R)-4-butyl-5,5-dimethyloxolan-2-one
PubChem CID10997473
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(4R)-4-butyl-5,5-dimethyloxolan-2-one
SMILESCCCC[C@@H]1CC(=O)OC1(C)C
InChIInChI=1S/C10H18O2/c1-4-5-6-8-7-9(11)12-10(8,2)3/h8H,4-7H2,1-3H3/t8-/m1/s1
InChIKeyBWMPWYNQCBDHCW-MRVPVSSYSA-N
XLogP2.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-butyl-5,5-dimethyloxolan-2-one?
The IUPAC name of (4R)-4-butyl-5,5-dimethyloxolan-2-one (CID 10997473) is (4R)-4-butyl-5,5-dimethyloxolan-2-one.
What is the SMILES notation for (4R)-4-butyl-5,5-dimethyloxolan-2-one?
The canonical SMILES for (4R)-4-butyl-5,5-dimethyloxolan-2-one is CCCC[C@@H]1CC(=O)OC1(C)C.
What is the InChIKey of (4R)-4-butyl-5,5-dimethyloxolan-2-one?
The InChIKey is BWMPWYNQCBDHCW-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H18O2/c1-4-5-6-8-7-9(11)12-10(8,2)3/h8H,4-7H2,1-3H3/t8-/m1/s1.
What are the key properties of (4R)-4-butyl-5,5-dimethyloxolan-2-one?
(4R)-4-butyl-5,5-dimethyloxolan-2-one has a molecular weight of 170.25 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-butyl-5,5-dimethyloxolan-2-one is sourced from PubChem (CID 10997473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).