(3R,5R)-5-(1,3-dihydroxy-2-methylpentyl)-3,5-dimethyloxolan-2-one

C12H22O4 — CID 139586290

IUPAC(3R,5R)-5-(1,3-dihydroxy-2-methylpentyl)-3,5-dimethyloxolan-2-one
SMILESCCC(O)C(C)C(O)[C@@]1(C)C[C@@H](C)C(=O)O1
InChIInChI=1S/C12H22O4/c1-5-9(13)8(3)10(14)12(4)6-7(2)11(15)16-12/h7-10,13-14H,5-6H2,1-4H3/t7-,8?,9?,10?,12-/m1/s1
InChIKeyQKUJJZCQQUIMAA-KRYQXMBOSA-N
MW230.30 g/mol
LogP1.10
Rot. Bonds4

About (3R,5R)-5-(1,3-dihydroxy-2-methylpentyl)-3,5-dimethyloxolan-2-one

(3R,5R)-5-(1,3-dihydroxy-2-methylpentyl)-3,5-dimethyloxolan-2-one (PubChem CID 139586290) has the molecular formula C12H22O4 and a molecular weight of 230.30 g/mol. Its IUPAC name is (3R,5R)-5-(1,3-dihydroxy-2-methylpentyl)-3,5-dimethyloxolan-2-one.

Molecular Properties

Compound Name(3R,5R)-5-(1,3-dihydroxy-2-methylpentyl)-3,5-dimethyloxolan-2-one
PubChem CID139586290
Molecular FormulaC12H22O4
Molecular Weight230.30 g/mol
Exact Mass230.15
IUPAC Name(3R,5R)-5-(1,3-dihydroxy-2-methylpentyl)-3,5-dimethyloxolan-2-one
SMILESCCC(O)C(C)C(O)[C@@]1(C)C[C@@H](C)C(=O)O1
InChIInChI=1S/C12H22O4/c1-5-9(13)8(3)10(14)12(4)6-7(2)11(15)16-12/h7-10,13-14H,5-6H2,1-4H3/t7-,8?,9?,10?,12-/m1/s1
InChIKeyQKUJJZCQQUIMAA-KRYQXMBOSA-N
XLogP1.10
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R,5R)-5-(1,3-dihydroxy-2-methylpentyl)-3,5-dimethyloxolan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-5-(1,3-dihydroxy-2-methylpentyl)-3,5-dimethyloxolan-2-one?
The IUPAC name of (3R,5R)-5-(1,3-dihydroxy-2-methylpentyl)-3,5-dimethyloxolan-2-one (CID 139586290) is (3R,5R)-5-(1,3-dihydroxy-2-methylpentyl)-3,5-dimethyloxolan-2-one.
What is the SMILES notation for (3R,5R)-5-(1,3-dihydroxy-2-methylpentyl)-3,5-dimethyloxolan-2-one?
The canonical SMILES for (3R,5R)-5-(1,3-dihydroxy-2-methylpentyl)-3,5-dimethyloxolan-2-one is CCC(O)C(C)C(O)[C@@]1(C)C[C@@H](C)C(=O)O1.
What is the InChIKey of (3R,5R)-5-(1,3-dihydroxy-2-methylpentyl)-3,5-dimethyloxolan-2-one?
The InChIKey is QKUJJZCQQUIMAA-KRYQXMBOSA-N. The full InChI is InChI=1S/C12H22O4/c1-5-9(13)8(3)10(14)12(4)6-7(2)11(15)16-12/h7-10,13-14H,5-6H2,1-4H3/t7-,8?,9?,10?,12-/m1/s1.
What are the key properties of (3R,5R)-5-(1,3-dihydroxy-2-methylpentyl)-3,5-dimethyloxolan-2-one?
(3R,5R)-5-(1,3-dihydroxy-2-methylpentyl)-3,5-dimethyloxolan-2-one has a molecular weight of 230.30 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-5-(1,3-dihydroxy-2-methylpentyl)-3,5-dimethyloxolan-2-one is sourced from PubChem (CID 139586290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).