8,9-dimethyltetradec-4-ene

C16H32 — CID 123353061

IUPAC8,9-dimethyltetradec-4-ene
SMILESCCCC=CCCC(C)C(C)CCCCC
InChIInChI=1S/C16H32/c1-5-7-9-10-12-14-16(4)15(3)13-11-8-6-2/h9-10,15-16H,5-8,11-14H2,1-4H3
InChIKeyHCMBAECHANKAFF-UHFFFAOYSA-N
MW224.43 g/mol
LogP5.98
Rot. Bonds10

About 8,9-dimethyltetradec-4-ene

8,9-dimethyltetradec-4-ene (PubChem CID 123353061) has the molecular formula C16H32 and a molecular weight of 224.43 g/mol. Its IUPAC name is 8,9-dimethyltetradec-4-ene.

Molecular Properties

Compound Name8,9-dimethyltetradec-4-ene
PubChem CID123353061
Molecular FormulaC16H32
Molecular Weight224.43 g/mol
Exact Mass224.25
IUPAC Name8,9-dimethyltetradec-4-ene
SMILESCCCC=CCCC(C)C(C)CCCCC
InChIInChI=1S/C16H32/c1-5-7-9-10-12-14-16(4)15(3)13-11-8-6-2/h9-10,15-16H,5-8,11-14H2,1-4H3
InChIKeyHCMBAECHANKAFF-UHFFFAOYSA-N
XLogP5.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.43
LogP ≤ 55.98
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 8,9-dimethyltetradec-4-ene 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

11,12-dimethyltricosane
CID 173430605
16,17-dimethyltritriacontane
CID 91506561
(10S,11S)-10,11-dimethylicosane
CID 14870619
11,12-dimethyloctacosane
CID 23345853
8,9-dimethylhexacosane
CID 160651612
(E)-20-methyloctacos-4-ene
CID 173194294
4,5-dimethylnonadecane
CID 123321090
5,6,14,15-tetramethylnonadecane
CID 123473711
2,3,14,15-tetramethylhenicosane
CID 123460288
butane;ethane;(Z,11S,12S)-5-ethylidene-3,11,12-trimethylheptadec-7-ene;propane
CID 143978443
13,14-dimethylnonadeca-1,10-diene
CID 123270999
(E)-2-methylheptadec-8-ene
CID 20541049

Frequently Asked Questions

What is the IUPAC name of 8,9-dimethyltetradec-4-ene?
The IUPAC name of 8,9-dimethyltetradec-4-ene (CID 123353061) is 8,9-dimethyltetradec-4-ene.
What is the SMILES notation for 8,9-dimethyltetradec-4-ene?
The canonical SMILES for 8,9-dimethyltetradec-4-ene is CCCC=CCCC(C)C(C)CCCCC.
What is the InChIKey of 8,9-dimethyltetradec-4-ene?
The InChIKey is HCMBAECHANKAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32/c1-5-7-9-10-12-14-16(4)15(3)13-11-8-6-2/h9-10,15-16H,5-8,11-14H2,1-4H3.
What are the key properties of 8,9-dimethyltetradec-4-ene?
8,9-dimethyltetradec-4-ene has a molecular weight of 224.43 g/mol, XLogP of 5.98, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-dimethyltetradec-4-ene is sourced from PubChem (CID 123353061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).