(4R)-4-(3-hydroxypentan-3-yl)oxolan-2-one

C9H16O3 — CID 102487996

IUPAC(4R)-4-(3-hydroxypentan-3-yl)oxolan-2-one
SMILESCCC(O)(CC)[C@H]1COC(=O)C1
InChIInChI=1S/C9H16O3/c1-3-9(11,4-2)7-5-8(10)12-6-7/h7,11H,3-6H2,1-2H3/t7-/m1/s1
InChIKeyXXPIXLWLWIJHGJ-SSDOTTSWSA-N
MW172.22 g/mol
LogP1.10
Rot. Bonds3

About (4R)-4-(3-hydroxypentan-3-yl)oxolan-2-one

(4R)-4-(3-hydroxypentan-3-yl)oxolan-2-one (PubChem CID 102487996) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is (4R)-4-(3-hydroxypentan-3-yl)oxolan-2-one.

Molecular Properties

Compound Name(4R)-4-(3-hydroxypentan-3-yl)oxolan-2-one
PubChem CID102487996
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name(4R)-4-(3-hydroxypentan-3-yl)oxolan-2-one
SMILESCCC(O)(CC)[C@H]1COC(=O)C1
InChIInChI=1S/C9H16O3/c1-3-9(11,4-2)7-5-8(10)12-6-7/h7,11H,3-6H2,1-2H3/t7-/m1/s1
InChIKeyXXPIXLWLWIJHGJ-SSDOTTSWSA-N
XLogP1.10
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(3-hydroxypentan-3-yl)oxolan-2-one?
The IUPAC name of (4R)-4-(3-hydroxypentan-3-yl)oxolan-2-one (CID 102487996) is (4R)-4-(3-hydroxypentan-3-yl)oxolan-2-one.
What is the SMILES notation for (4R)-4-(3-hydroxypentan-3-yl)oxolan-2-one?
The canonical SMILES for (4R)-4-(3-hydroxypentan-3-yl)oxolan-2-one is CCC(O)(CC)[C@H]1COC(=O)C1.
What is the InChIKey of (4R)-4-(3-hydroxypentan-3-yl)oxolan-2-one?
The InChIKey is XXPIXLWLWIJHGJ-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H16O3/c1-3-9(11,4-2)7-5-8(10)12-6-7/h7,11H,3-6H2,1-2H3/t7-/m1/s1.
What are the key properties of (4R)-4-(3-hydroxypentan-3-yl)oxolan-2-one?
(4R)-4-(3-hydroxypentan-3-yl)oxolan-2-one has a molecular weight of 172.22 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(3-hydroxypentan-3-yl)oxolan-2-one is sourced from PubChem (CID 102487996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).