(5S)-5-butyloxolan-2-one

C8H14O2 — CID 7057972

IUPAC(5S)-5-butyloxolan-2-one
SMILESCCCC[C@H]1CCC(=O)O1
InChIInChI=1S/C8H14O2/c1-2-3-4-7-5-6-8(9)10-7/h7H,2-6H2,1H3/t7-/m0/s1
InChIKeyIPBFYZQJXZJBFQ-ZETCQYMHSA-N
MW142.20 g/mol
LogP1.88
Rot. Bonds3

About (5S)-5-butyloxolan-2-one

(5S)-5-butyloxolan-2-one (PubChem CID 7057972) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is (5S)-5-butyloxolan-2-one.

Molecular Properties

Compound Name(5S)-5-butyloxolan-2-one
PubChem CID7057972
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name(5S)-5-butyloxolan-2-one
SMILESCCCC[C@H]1CCC(=O)O1
InChIInChI=1S/C8H14O2/c1-2-3-4-7-5-6-8(9)10-7/h7H,2-6H2,1H3/t7-/m0/s1
InChIKeyIPBFYZQJXZJBFQ-ZETCQYMHSA-N
XLogP1.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-butyloxolan-2-one?
The IUPAC name of (5S)-5-butyloxolan-2-one (CID 7057972) is (5S)-5-butyloxolan-2-one.
What is the SMILES notation for (5S)-5-butyloxolan-2-one?
The canonical SMILES for (5S)-5-butyloxolan-2-one is CCCC[C@H]1CCC(=O)O1.
What is the InChIKey of (5S)-5-butyloxolan-2-one?
The InChIKey is IPBFYZQJXZJBFQ-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H14O2/c1-2-3-4-7-5-6-8(9)10-7/h7H,2-6H2,1H3/t7-/m0/s1.
What are the key properties of (5S)-5-butyloxolan-2-one?
(5S)-5-butyloxolan-2-one has a molecular weight of 142.20 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-butyloxolan-2-one is sourced from PubChem (CID 7057972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).