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

C12H22O4 — CID 139583234

IUPAC(3R,5R)-5-(1,2-dihydroxy-2-methylpentyl)-3,5-dimethyloxolan-2-one
SMILESCCCC(C)(O)C(O)[C@@]1(C)C[C@@H](C)C(=O)O1
InChIInChI=1S/C12H22O4/c1-5-6-11(3,15)10(14)12(4)7-8(2)9(13)16-12/h8,10,14-15H,5-7H2,1-4H3/t8-,10?,11?,12-/m1/s1
InChIKeyCMRPPBFRISETMO-OZOYIQBDSA-N
MW230.30 g/mol
LogP1.24
Rot. Bonds4

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

(3R,5R)-5-(1,2-dihydroxy-2-methylpentyl)-3,5-dimethyloxolan-2-one (PubChem CID 139583234) has the molecular formula C12H22O4 and a molecular weight of 230.30 g/mol. Its IUPAC name is (3R,5R)-5-(1,2-dihydroxy-2-methylpentyl)-3,5-dimethyloxolan-2-one.

Molecular Properties

Compound Name(3R,5R)-5-(1,2-dihydroxy-2-methylpentyl)-3,5-dimethyloxolan-2-one
PubChem CID139583234
Molecular FormulaC12H22O4
Molecular Weight230.30 g/mol
Exact Mass230.15
IUPAC Name(3R,5R)-5-(1,2-dihydroxy-2-methylpentyl)-3,5-dimethyloxolan-2-one
SMILESCCCC(C)(O)C(O)[C@@]1(C)C[C@@H](C)C(=O)O1
InChIInChI=1S/C12H22O4/c1-5-6-11(3,15)10(14)12(4)7-8(2)9(13)16-12/h8,10,14-15H,5-7H2,1-4H3/t8-,10?,11?,12-/m1/s1
InChIKeyCMRPPBFRISETMO-OZOYIQBDSA-N
XLogP1.24
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 ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,5R)-5-(1,2-dihydroxy-2-methylpentyl)-3,5-dimethyloxolan-2-one?
The IUPAC name of (3R,5R)-5-(1,2-dihydroxy-2-methylpentyl)-3,5-dimethyloxolan-2-one (CID 139583234) is (3R,5R)-5-(1,2-dihydroxy-2-methylpentyl)-3,5-dimethyloxolan-2-one.
What is the SMILES notation for (3R,5R)-5-(1,2-dihydroxy-2-methylpentyl)-3,5-dimethyloxolan-2-one?
The canonical SMILES for (3R,5R)-5-(1,2-dihydroxy-2-methylpentyl)-3,5-dimethyloxolan-2-one is CCCC(C)(O)C(O)[C@@]1(C)C[C@@H](C)C(=O)O1.
What is the InChIKey of (3R,5R)-5-(1,2-dihydroxy-2-methylpentyl)-3,5-dimethyloxolan-2-one?
The InChIKey is CMRPPBFRISETMO-OZOYIQBDSA-N. The full InChI is InChI=1S/C12H22O4/c1-5-6-11(3,15)10(14)12(4)7-8(2)9(13)16-12/h8,10,14-15H,5-7H2,1-4H3/t8-,10?,11?,12-/m1/s1.
What are the key properties of (3R,5R)-5-(1,2-dihydroxy-2-methylpentyl)-3,5-dimethyloxolan-2-one?
(3R,5R)-5-(1,2-dihydroxy-2-methylpentyl)-3,5-dimethyloxolan-2-one has a molecular weight of 230.30 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-5-(1,2-dihydroxy-2-methylpentyl)-3,5-dimethyloxolan-2-one is sourced from PubChem (CID 139583234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).