3,8,9-trimethylundeca-1,9-diene

C14H26 — CID 123230555

IUPAC3,8,9-trimethylundeca-1,9-diene
SMILESC=CC(C)CCCCC(C)C(C)=CC
InChIInChI=1S/C14H26/c1-6-12(3)10-8-9-11-14(5)13(4)7-2/h6-7,12,14H,1,8-11H2,2-5H3
InChIKeyKTYDBWPGGRSFAA-UHFFFAOYSA-N
MW194.36 g/mol
LogP4.97
Rot. Bonds7

About 3,8,9-trimethylundeca-1,9-diene

3,8,9-trimethylundeca-1,9-diene (PubChem CID 123230555) has the molecular formula C14H26 and a molecular weight of 194.36 g/mol. Its IUPAC name is 3,8,9-trimethylundeca-1,9-diene.

Molecular Properties

Compound Name3,8,9-trimethylundeca-1,9-diene
PubChem CID123230555
Molecular FormulaC14H26
Molecular Weight194.36 g/mol
Exact Mass194.20
IUPAC Name3,8,9-trimethylundeca-1,9-diene
SMILESC=CC(C)CCCCC(C)C(C)=CC
InChIInChI=1S/C14H26/c1-6-12(3)10-8-9-11-14(5)13(4)7-2/h6-7,12,14H,1,8-11H2,2-5H3
InChIKeyKTYDBWPGGRSFAA-UHFFFAOYSA-N
XLogP4.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.36
LogP ≤ 54.97
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 3,8,9-trimethylundeca-1,9-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

3,8-dimethylnon-1-ene
CID 54356105
2,6-dimethyloct-7-enoic acid
CID 59229292
(2E,4R,6R)-3,6-dimethylocta-2,7-dien-4-ol
CID 135000910
6-methyloct-7-enoate
CID 140706101
7-chloro-8-fluoro-3-methylnona-1,7-diene
CID 123281974
N-(5-methylhept-6-enyl)formamide
CID 87378048
(3R,7S)-3,7,11-trimethyldodec-1-ene
CID 25113592
acetylene;3-methylhept-1-ene;propane
CID 144520771
3,6-dimethylhept-1-ene
CID 18443713
7,8-dimethyltridec-6-ene
CID 123214902
(3S)-3-methylhepta-1,6-diene
CID 145257056
3,6-dimethylhept-1-ene;ethane
CID 142076338

Frequently Asked Questions

What is the IUPAC name of 3,8,9-trimethylundeca-1,9-diene?
The IUPAC name of 3,8,9-trimethylundeca-1,9-diene (CID 123230555) is 3,8,9-trimethylundeca-1,9-diene.
What is the SMILES notation for 3,8,9-trimethylundeca-1,9-diene?
The canonical SMILES for 3,8,9-trimethylundeca-1,9-diene is C=CC(C)CCCCC(C)C(C)=CC.
What is the InChIKey of 3,8,9-trimethylundeca-1,9-diene?
The InChIKey is KTYDBWPGGRSFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26/c1-6-12(3)10-8-9-11-14(5)13(4)7-2/h6-7,12,14H,1,8-11H2,2-5H3.
What are the key properties of 3,8,9-trimethylundeca-1,9-diene?
3,8,9-trimethylundeca-1,9-diene has a molecular weight of 194.36 g/mol, XLogP of 4.97, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8,9-trimethylundeca-1,9-diene is sourced from PubChem (CID 123230555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).