(4S,5R)-4-hydroxy-5-[(3E,5R)-5-hydroxy-4,8-dimethylnona-3,7-dienyl]-5-methyloxolan-2-one

C16H26O4 — CID 162931838

IUPAC(4S,5R)-4-hydroxy-5-[(3E,5R)-5-hydroxy-4,8-dimethylnona-3,7-dienyl]-5-methyloxolan-2-one
SMILESCC(C)=CC[C@@H](O)/C(C)=C/CC[C@@]1(C)OC(=O)C[C@@H]1O
InChIInChI=1S/C16H26O4/c1-11(2)7-8-13(17)12(3)6-5-9-16(4)14(18)10-15(19)20-16/h6-7,13-14,17-18H,5,8-10H2,1-4H3/b12-6+/t13-,14+,16-/m1/s1
InChIKeyMHJUERMCLHZDTI-KGDOCWNVSA-N
MW282.38 g/mol
LogP2.50
Rot. Bonds6

About (4S,5R)-4-hydroxy-5-[(3E,5R)-5-hydroxy-4,8-dimethylnona-3,7-dienyl]-5-methyloxolan-2-one

(4S,5R)-4-hydroxy-5-[(3E,5R)-5-hydroxy-4,8-dimethylnona-3,7-dienyl]-5-methyloxolan-2-one (PubChem CID 162931838) has the molecular formula C16H26O4 and a molecular weight of 282.38 g/mol. Its IUPAC name is (4S,5R)-4-hydroxy-5-[(3E,5R)-5-hydroxy-4,8-dimethylnona-3,7-dienyl]-5-methyloxolan-2-one.

Molecular Properties

Compound Name(4S,5R)-4-hydroxy-5-[(3E,5R)-5-hydroxy-4,8-dimethylnona-3,7-dienyl]-5-methyloxolan-2-one
PubChem CID162931838
Molecular FormulaC16H26O4
Molecular Weight282.38 g/mol
Exact Mass282.18
IUPAC Name(4S,5R)-4-hydroxy-5-[(3E,5R)-5-hydroxy-4,8-dimethylnona-3,7-dienyl]-5-methyloxolan-2-one
SMILESCC(C)=CC[C@@H](O)/C(C)=C/CC[C@@]1(C)OC(=O)C[C@@H]1O
InChIInChI=1S/C16H26O4/c1-11(2)7-8-13(17)12(3)6-5-9-16(4)14(18)10-15(19)20-16/h6-7,13-14,17-18H,5,8-10H2,1-4H3/b12-6+/t13-,14+,16-/m1/s1
InChIKeyMHJUERMCLHZDTI-KGDOCWNVSA-N
XLogP2.50
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4S,5R)-4-hydroxy-5-[(3E,5R)-5-hydroxy-4,8-dimethylnona-3,7-dienyl]-5-methyloxolan-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 (4S,5R)-4-hydroxy-5-[(3E,5R)-5-hydroxy-4,8-dimethylnona-3,7-dienyl]-5-methyloxolan-2-one?
The IUPAC name of (4S,5R)-4-hydroxy-5-[(3E,5R)-5-hydroxy-4,8-dimethylnona-3,7-dienyl]-5-methyloxolan-2-one (CID 162931838) is (4S,5R)-4-hydroxy-5-[(3E,5R)-5-hydroxy-4,8-dimethylnona-3,7-dienyl]-5-methyloxolan-2-one.
What is the SMILES notation for (4S,5R)-4-hydroxy-5-[(3E,5R)-5-hydroxy-4,8-dimethylnona-3,7-dienyl]-5-methyloxolan-2-one?
The canonical SMILES for (4S,5R)-4-hydroxy-5-[(3E,5R)-5-hydroxy-4,8-dimethylnona-3,7-dienyl]-5-methyloxolan-2-one is CC(C)=CC[C@@H](O)/C(C)=C/CC[C@@]1(C)OC(=O)C[C@@H]1O.
What is the InChIKey of (4S,5R)-4-hydroxy-5-[(3E,5R)-5-hydroxy-4,8-dimethylnona-3,7-dienyl]-5-methyloxolan-2-one?
The InChIKey is MHJUERMCLHZDTI-KGDOCWNVSA-N. The full InChI is InChI=1S/C16H26O4/c1-11(2)7-8-13(17)12(3)6-5-9-16(4)14(18)10-15(19)20-16/h6-7,13-14,17-18H,5,8-10H2,1-4H3/b12-6+/t13-,14+,16-/m1/s1.
What are the key properties of (4S,5R)-4-hydroxy-5-[(3E,5R)-5-hydroxy-4,8-dimethylnona-3,7-dienyl]-5-methyloxolan-2-one?
(4S,5R)-4-hydroxy-5-[(3E,5R)-5-hydroxy-4,8-dimethylnona-3,7-dienyl]-5-methyloxolan-2-one has a molecular weight of 282.38 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-4-hydroxy-5-[(3E,5R)-5-hydroxy-4,8-dimethylnona-3,7-dienyl]-5-methyloxolan-2-one is sourced from PubChem (CID 162931838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).