(3S)-3-[(3E,7E)-3,7-dimethylnona-3,7-dienyl]-2,2-dimethyloxirane

C15H26O — CID 134692227

IUPAC(3S)-3-[(3E,7E)-3,7-dimethylnona-3,7-dienyl]-2,2-dimethyloxirane
SMILESC/C=C(\C)CC/C=C(\C)CC[C@@H]1OC1(C)C
InChIInChI=1S/C15H26O/c1-6-12(2)8-7-9-13(3)10-11-14-15(4,5)16-14/h6,9,14H,7-8,10-11H2,1-5H3/b12-6+,13-9+/t14-/m0/s1
InChIKeyCSESVENHWXVTIH-GAZHYCJLSA-N
MW222.37 g/mol
LogP4.64
Rot. Bonds6

About (3S)-3-[(3E,7E)-3,7-dimethylnona-3,7-dienyl]-2,2-dimethyloxirane

(3S)-3-[(3E,7E)-3,7-dimethylnona-3,7-dienyl]-2,2-dimethyloxirane (PubChem CID 134692227) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is (3S)-3-[(3E,7E)-3,7-dimethylnona-3,7-dienyl]-2,2-dimethyloxirane.

Molecular Properties

Compound Name(3S)-3-[(3E,7E)-3,7-dimethylnona-3,7-dienyl]-2,2-dimethyloxirane
PubChem CID134692227
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name(3S)-3-[(3E,7E)-3,7-dimethylnona-3,7-dienyl]-2,2-dimethyloxirane
SMILESC/C=C(\C)CC/C=C(\C)CC[C@@H]1OC1(C)C
InChIInChI=1S/C15H26O/c1-6-12(2)8-7-9-13(3)10-11-14-15(4,5)16-14/h6,9,14H,7-8,10-11H2,1-5H3/b12-6+,13-9+/t14-/m0/s1
InChIKeyCSESVENHWXVTIH-GAZHYCJLSA-N
XLogP4.64
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3S)-3-[(3E,7E)-3,7-dimethylnona-3,7-dienyl]-2,2-dimethyloxirane 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 (3S)-3-[(3E,7E)-3,7-dimethylnona-3,7-dienyl]-2,2-dimethyloxirane?
The IUPAC name of (3S)-3-[(3E,7E)-3,7-dimethylnona-3,7-dienyl]-2,2-dimethyloxirane (CID 134692227) is (3S)-3-[(3E,7E)-3,7-dimethylnona-3,7-dienyl]-2,2-dimethyloxirane.
What is the SMILES notation for (3S)-3-[(3E,7E)-3,7-dimethylnona-3,7-dienyl]-2,2-dimethyloxirane?
The canonical SMILES for (3S)-3-[(3E,7E)-3,7-dimethylnona-3,7-dienyl]-2,2-dimethyloxirane is C/C=C(\C)CC/C=C(\C)CC[C@@H]1OC1(C)C.
What is the InChIKey of (3S)-3-[(3E,7E)-3,7-dimethylnona-3,7-dienyl]-2,2-dimethyloxirane?
The InChIKey is CSESVENHWXVTIH-GAZHYCJLSA-N. The full InChI is InChI=1S/C15H26O/c1-6-12(2)8-7-9-13(3)10-11-14-15(4,5)16-14/h6,9,14H,7-8,10-11H2,1-5H3/b12-6+,13-9+/t14-/m0/s1.
What are the key properties of (3S)-3-[(3E,7E)-3,7-dimethylnona-3,7-dienyl]-2,2-dimethyloxirane?
(3S)-3-[(3E,7E)-3,7-dimethylnona-3,7-dienyl]-2,2-dimethyloxirane has a molecular weight of 222.37 g/mol, XLogP of 4.64, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(3E,7E)-3,7-dimethylnona-3,7-dienyl]-2,2-dimethyloxirane is sourced from PubChem (CID 134692227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).