3,4,7,8-tetramethylnona-1,5-diene

C13H24 — CID 123537739

IUPAC3,4,7,8-tetramethylnona-1,5-diene
SMILESC=CC(C)C(C)C=CC(C)C(C)C
InChIInChI=1S/C13H24/c1-7-11(4)13(6)9-8-12(5)10(2)3/h7-13H,1H2,2-6H3
InChIKeyIERMSSXORRGVCP-UHFFFAOYSA-N
MW180.33 g/mol
LogP4.29
Rot. Bonds5

About 3,4,7,8-tetramethylnona-1,5-diene

3,4,7,8-tetramethylnona-1,5-diene (PubChem CID 123537739) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is 3,4,7,8-tetramethylnona-1,5-diene.

Molecular Properties

Compound Name3,4,7,8-tetramethylnona-1,5-diene
PubChem CID123537739
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Name3,4,7,8-tetramethylnona-1,5-diene
SMILESC=CC(C)C(C)C=CC(C)C(C)C
InChIInChI=1S/C13H24/c1-7-11(4)13(6)9-8-12(5)10(2)3/h7-13H,1H2,2-6H3
InChIKeyIERMSSXORRGVCP-UHFFFAOYSA-N
XLogP4.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.33
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3,4,7,8-tetramethylnona-1,5-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E,6R)-2,3,6,7-tetramethyloct-4-ene
CID 58933362
3,4-dimethylhexa-1,5-diene
CID 521244
(1Z)-3,4-dimethylhexa-1,5-dien-1-amine
CID 174319915
(Z,5R)-2,5,6-trimethylhept-3-ene
CID 155647530
3,4-dimethylnona-1,5-diene
CID 57098033
(2E)-4,5-dimethylhepta-2,6-dienoic acid
CID 139530210
(5E)-3,8-dimethyldeca-1,5,9-triene-4,7-diamine
CID 100988529
3-fluoro-4-methylpent-1-ene
CID 154549963
4-fluoro-3-methylpent-1-ene
CID 123956032
4-ethyl-3,5-dimethylhex-1-ene
CID 19044876
(3S,4R)-2,2,4-trimethylhex-5-en-3-ol
CID 11182665
trimethyl(4-methylpent-1-en-3-yl)silane
CID 101350388

Frequently Asked Questions

What is the IUPAC name of 3,4,7,8-tetramethylnona-1,5-diene?
The IUPAC name of 3,4,7,8-tetramethylnona-1,5-diene (CID 123537739) is 3,4,7,8-tetramethylnona-1,5-diene.
What is the SMILES notation for 3,4,7,8-tetramethylnona-1,5-diene?
The canonical SMILES for 3,4,7,8-tetramethylnona-1,5-diene is C=CC(C)C(C)C=CC(C)C(C)C.
What is the InChIKey of 3,4,7,8-tetramethylnona-1,5-diene?
The InChIKey is IERMSSXORRGVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24/c1-7-11(4)13(6)9-8-12(5)10(2)3/h7-13H,1H2,2-6H3.
What are the key properties of 3,4,7,8-tetramethylnona-1,5-diene?
3,4,7,8-tetramethylnona-1,5-diene has a molecular weight of 180.33 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,7,8-tetramethylnona-1,5-diene is sourced from PubChem (CID 123537739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).