2,9-dimethylundeca-3,8-diene

C13H24 — CID 54445642

IUPAC2,9-dimethylundeca-3,8-diene
SMILESCCC(C)=CCCCC=CC(C)C
InChIInChI=1S/C13H24/c1-5-13(4)11-9-7-6-8-10-12(2)3/h8,10-12H,5-7,9H2,1-4H3
InChIKeySEPAVHMSSKDVOJ-UHFFFAOYSA-N
MW180.33 g/mol
LogP4.73
Rot. Bonds6

About 2,9-dimethylundeca-3,8-diene

2,9-dimethylundeca-3,8-diene (PubChem CID 54445642) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is 2,9-dimethylundeca-3,8-diene.

Molecular Properties

Compound Name2,9-dimethylundeca-3,8-diene
PubChem CID54445642
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Name2,9-dimethylundeca-3,8-diene
SMILESCCC(C)=CCCCC=CC(C)C
InChIInChI=1S/C13H24/c1-5-13(4)11-9-7-6-8-10-12(2)3/h8,10-12H,5-7,9H2,1-4H3
InChIKeySEPAVHMSSKDVOJ-UHFFFAOYSA-N
XLogP4.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.33
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2,9-dimethylundeca-3,8-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)-3-methylnon-3-ene
CID 5364647
(Z)-6-methylhept-4-en-1-ol
CID 13494537
(Z)-3-methylheptadec-3-ene
CID 159647191
3-methylicos-3-ene
CID 91445266
(Z)-2-methyloct-3-ene;octane
CID 159051061
(Z)-3-methylpentadec-3-ene
CID 14954714
3-methyloctadec-3-ene
CID 91073568
N,10-dimethyldodec-9-en-2-amine
CID 123170958
18-methylicos-17-enenitrile
CID 54078352
3-methylundeca-3,7-diene
CID 57021497
7-methyloct-5-en-1-amine
CID 71344275
7-methyloct-5-enyl acetate
CID 146842876

Frequently Asked Questions

What is the IUPAC name of 2,9-dimethylundeca-3,8-diene?
The IUPAC name of 2,9-dimethylundeca-3,8-diene (CID 54445642) is 2,9-dimethylundeca-3,8-diene.
What is the SMILES notation for 2,9-dimethylundeca-3,8-diene?
The canonical SMILES for 2,9-dimethylundeca-3,8-diene is CCC(C)=CCCCC=CC(C)C.
What is the InChIKey of 2,9-dimethylundeca-3,8-diene?
The InChIKey is SEPAVHMSSKDVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24/c1-5-13(4)11-9-7-6-8-10-12(2)3/h8,10-12H,5-7,9H2,1-4H3.
What are the key properties of 2,9-dimethylundeca-3,8-diene?
2,9-dimethylundeca-3,8-diene has a molecular weight of 180.33 g/mol, XLogP of 4.73, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-dimethylundeca-3,8-diene is sourced from PubChem (CID 54445642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).