(3R,4R)-3-[(3E)-4,8-dimethylnona-3,7-dienyl]-4-hydroxyoxolan-2-one

C15H24O3 — CID 138966917

IUPAC(3R,4R)-3-[(3E)-4,8-dimethylnona-3,7-dienyl]-4-hydroxyoxolan-2-one
SMILESCC(C)=CCC/C(C)=C/CC[C@H]1C(=O)OC[C@@H]1O
InChIInChI=1S/C15H24O3/c1-11(2)6-4-7-12(3)8-5-9-13-14(16)10-18-15(13)17/h6,8,13-14,16H,4-5,7,9-10H2,1-3H3/b12-8+/t13-,14+/m1/s1
InChIKeyYJQDHKWKGHLXAL-YJPQANQASA-N
MW252.35 g/mol
LogP2.99
Rot. Bonds6

About (3R,4R)-3-[(3E)-4,8-dimethylnona-3,7-dienyl]-4-hydroxyoxolan-2-one

(3R,4R)-3-[(3E)-4,8-dimethylnona-3,7-dienyl]-4-hydroxyoxolan-2-one (PubChem CID 138966917) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is (3R,4R)-3-[(3E)-4,8-dimethylnona-3,7-dienyl]-4-hydroxyoxolan-2-one.

Molecular Properties

Compound Name(3R,4R)-3-[(3E)-4,8-dimethylnona-3,7-dienyl]-4-hydroxyoxolan-2-one
PubChem CID138966917
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name(3R,4R)-3-[(3E)-4,8-dimethylnona-3,7-dienyl]-4-hydroxyoxolan-2-one
SMILESCC(C)=CCC/C(C)=C/CC[C@H]1C(=O)OC[C@@H]1O
InChIInChI=1S/C15H24O3/c1-11(2)6-4-7-12(3)8-5-9-13-14(16)10-18-15(13)17/h6,8,13-14,16H,4-5,7,9-10H2,1-3H3/b12-8+/t13-,14+/m1/s1
InChIKeyYJQDHKWKGHLXAL-YJPQANQASA-N
XLogP2.99
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 52.99
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 (3R,4R)-3-[(3E)-4,8-dimethylnona-3,7-dienyl]-4-hydroxyoxolan-2-one?
The IUPAC name of (3R,4R)-3-[(3E)-4,8-dimethylnona-3,7-dienyl]-4-hydroxyoxolan-2-one (CID 138966917) is (3R,4R)-3-[(3E)-4,8-dimethylnona-3,7-dienyl]-4-hydroxyoxolan-2-one.
What is the SMILES notation for (3R,4R)-3-[(3E)-4,8-dimethylnona-3,7-dienyl]-4-hydroxyoxolan-2-one?
The canonical SMILES for (3R,4R)-3-[(3E)-4,8-dimethylnona-3,7-dienyl]-4-hydroxyoxolan-2-one is CC(C)=CCC/C(C)=C/CC[C@H]1C(=O)OC[C@@H]1O.
What is the InChIKey of (3R,4R)-3-[(3E)-4,8-dimethylnona-3,7-dienyl]-4-hydroxyoxolan-2-one?
The InChIKey is YJQDHKWKGHLXAL-YJPQANQASA-N. The full InChI is InChI=1S/C15H24O3/c1-11(2)6-4-7-12(3)8-5-9-13-14(16)10-18-15(13)17/h6,8,13-14,16H,4-5,7,9-10H2,1-3H3/b12-8+/t13-,14+/m1/s1.
What are the key properties of (3R,4R)-3-[(3E)-4,8-dimethylnona-3,7-dienyl]-4-hydroxyoxolan-2-one?
(3R,4R)-3-[(3E)-4,8-dimethylnona-3,7-dienyl]-4-hydroxyoxolan-2-one has a molecular weight of 252.35 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-[(3E)-4,8-dimethylnona-3,7-dienyl]-4-hydroxyoxolan-2-one is sourced from PubChem (CID 138966917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).