5-butyl-2-methoxy-6,8,8-trimethylnon-2-ene

C17H34O — CID 123624714

IUPAC5-butyl-2-methoxy-6,8,8-trimethylnon-2-ene
SMILESCCCCC(CC=C(C)OC)C(C)CC(C)(C)C
InChIInChI=1S/C17H34O/c1-8-9-10-16(12-11-15(3)18-7)14(2)13-17(4,5)6/h11,14,16H,8-10,12-13H2,1-7H3
InChIKeyJJNGJUULVQUOFK-UHFFFAOYSA-N
MW254.46 g/mol
LogP5.81
Rot. Bonds8

About 5-butyl-2-methoxy-6,8,8-trimethylnon-2-ene

5-butyl-2-methoxy-6,8,8-trimethylnon-2-ene (PubChem CID 123624714) has the molecular formula C17H34O and a molecular weight of 254.46 g/mol. Its IUPAC name is 5-butyl-2-methoxy-6,8,8-trimethylnon-2-ene.

Molecular Properties

Compound Name5-butyl-2-methoxy-6,8,8-trimethylnon-2-ene
PubChem CID123624714
Molecular FormulaC17H34O
Molecular Weight254.46 g/mol
Exact Mass254.26
IUPAC Name5-butyl-2-methoxy-6,8,8-trimethylnon-2-ene
SMILESCCCCC(CC=C(C)OC)C(C)CC(C)(C)C
InChIInChI=1S/C17H34O/c1-8-9-10-16(12-11-15(3)18-7)14(2)13-17(4,5)6/h11,14,16H,8-10,12-13H2,1-7H3
InChIKeyJJNGJUULVQUOFK-UHFFFAOYSA-N
XLogP5.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.46
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 5-butyl-2-methoxy-6,8,8-trimethylnon-2-ene 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 5-butyl-2-methoxy-6,8,8-trimethylnon-2-ene?
The IUPAC name of 5-butyl-2-methoxy-6,8,8-trimethylnon-2-ene (CID 123624714) is 5-butyl-2-methoxy-6,8,8-trimethylnon-2-ene.
What is the SMILES notation for 5-butyl-2-methoxy-6,8,8-trimethylnon-2-ene?
The canonical SMILES for 5-butyl-2-methoxy-6,8,8-trimethylnon-2-ene is CCCCC(CC=C(C)OC)C(C)CC(C)(C)C.
What is the InChIKey of 5-butyl-2-methoxy-6,8,8-trimethylnon-2-ene?
The InChIKey is JJNGJUULVQUOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O/c1-8-9-10-16(12-11-15(3)18-7)14(2)13-17(4,5)6/h11,14,16H,8-10,12-13H2,1-7H3.
What are the key properties of 5-butyl-2-methoxy-6,8,8-trimethylnon-2-ene?
5-butyl-2-methoxy-6,8,8-trimethylnon-2-ene has a molecular weight of 254.46 g/mol, XLogP of 5.81, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-methoxy-6,8,8-trimethylnon-2-ene is sourced from PubChem (CID 123624714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).