(4S,5R)-4-hydroxy-5-methyl-5-(4-methylpent-3-enyl)oxolan-2-one

C11H18O3 — CID 10352705

IUPAC(4S,5R)-4-hydroxy-5-methyl-5-(4-methylpent-3-enyl)oxolan-2-one
SMILESCC(C)=CCC[C@@]1(C)OC(=O)C[C@@H]1O
InChIInChI=1S/C11H18O3/c1-8(2)5-4-6-11(3)9(12)7-10(13)14-11/h5,9,12H,4,6-7H2,1-3H3/t9-,11+/m0/s1
InChIKeyJMWBTPQEGMTXKP-GXSJLCMTSA-N
MW198.26 g/mol
LogP1.80
Rot. Bonds3

About (4S,5R)-4-hydroxy-5-methyl-5-(4-methylpent-3-enyl)oxolan-2-one

(4S,5R)-4-hydroxy-5-methyl-5-(4-methylpent-3-enyl)oxolan-2-one (PubChem CID 10352705) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is (4S,5R)-4-hydroxy-5-methyl-5-(4-methylpent-3-enyl)oxolan-2-one.

Molecular Properties

Compound Name(4S,5R)-4-hydroxy-5-methyl-5-(4-methylpent-3-enyl)oxolan-2-one
PubChem CID10352705
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name(4S,5R)-4-hydroxy-5-methyl-5-(4-methylpent-3-enyl)oxolan-2-one
SMILESCC(C)=CCC[C@@]1(C)OC(=O)C[C@@H]1O
InChIInChI=1S/C11H18O3/c1-8(2)5-4-6-11(3)9(12)7-10(13)14-11/h5,9,12H,4,6-7H2,1-3H3/t9-,11+/m0/s1
InChIKeyJMWBTPQEGMTXKP-GXSJLCMTSA-N
XLogP1.80
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-4-hydroxy-5-methyl-5-(4-methylpent-3-enyl)oxolan-2-one?
The IUPAC name of (4S,5R)-4-hydroxy-5-methyl-5-(4-methylpent-3-enyl)oxolan-2-one (CID 10352705) is (4S,5R)-4-hydroxy-5-methyl-5-(4-methylpent-3-enyl)oxolan-2-one.
What is the SMILES notation for (4S,5R)-4-hydroxy-5-methyl-5-(4-methylpent-3-enyl)oxolan-2-one?
The canonical SMILES for (4S,5R)-4-hydroxy-5-methyl-5-(4-methylpent-3-enyl)oxolan-2-one is CC(C)=CCC[C@@]1(C)OC(=O)C[C@@H]1O.
What is the InChIKey of (4S,5R)-4-hydroxy-5-methyl-5-(4-methylpent-3-enyl)oxolan-2-one?
The InChIKey is JMWBTPQEGMTXKP-GXSJLCMTSA-N. The full InChI is InChI=1S/C11H18O3/c1-8(2)5-4-6-11(3)9(12)7-10(13)14-11/h5,9,12H,4,6-7H2,1-3H3/t9-,11+/m0/s1.
What are the key properties of (4S,5R)-4-hydroxy-5-methyl-5-(4-methylpent-3-enyl)oxolan-2-one?
(4S,5R)-4-hydroxy-5-methyl-5-(4-methylpent-3-enyl)oxolan-2-one has a molecular weight of 198.26 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-4-hydroxy-5-methyl-5-(4-methylpent-3-enyl)oxolan-2-one is sourced from PubChem (CID 10352705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).