2,3,4-trimethyltetradec-1-ene

C17H34 — CID 123582556

IUPAC2,3,4-trimethyltetradec-1-ene
SMILESC=C(C)C(C)C(C)CCCCCCCCCC
InChIInChI=1S/C17H34/c1-6-7-8-9-10-11-12-13-14-16(4)17(5)15(2)3/h16-17H,2,6-14H2,1,3-5H3
InChIKeyHAVWCWSIAJTIFE-UHFFFAOYSA-N
MW238.46 g/mol
LogP6.37
Rot. Bonds11

About 2,3,4-trimethyltetradec-1-ene

2,3,4-trimethyltetradec-1-ene (PubChem CID 123582556) has the molecular formula C17H34 and a molecular weight of 238.46 g/mol. Its IUPAC name is 2,3,4-trimethyltetradec-1-ene.

Molecular Properties

Compound Name2,3,4-trimethyltetradec-1-ene
PubChem CID123582556
Molecular FormulaC17H34
Molecular Weight238.46 g/mol
Exact Mass238.27
IUPAC Name2,3,4-trimethyltetradec-1-ene
SMILESC=C(C)C(C)C(C)CCCCCCCCCC
InChIInChI=1S/C17H34/c1-6-7-8-9-10-11-12-13-14-16(4)17(5)15(2)3/h16-17H,2,6-14H2,1,3-5H3
InChIKeyHAVWCWSIAJTIFE-UHFFFAOYSA-N
XLogP6.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.46
LogP ≤ 56.37
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 2,3,4-trimethyltetradec-1-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

ethane;methane;2,5,6-trimethyl-4-methylideneheptadec-1-ene
CID 176715195
2,10,11-trimethylicos-1-ene
CID 123857380
16,17-dimethyltritriacontane
CID 91506561
(10S,11S)-10,11-dimethylicosane
CID 14870619
11,12-dimethyloctacosane
CID 23345853
11,12-dimethyltricosane
CID 173430605
8,9-dimethylhexacosane
CID 160651612
2,3-dimethyldodec-1-ene;ethane;ethene
CID 144958915
decane;ethene;hexane;2-methylheptane;2-methylprop-1-ene;nonane
CID 172567112
(2R,3R)-3-methylpentadecan-2-ol
CID 94864867
3-ethyl-2-methyldodec-1-ene
CID 174845873
8,10-dimethyl-7-prop-1-en-2-ylhenicosane
CID 59273185

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethyltetradec-1-ene?
The IUPAC name of 2,3,4-trimethyltetradec-1-ene (CID 123582556) is 2,3,4-trimethyltetradec-1-ene.
What is the SMILES notation for 2,3,4-trimethyltetradec-1-ene?
The canonical SMILES for 2,3,4-trimethyltetradec-1-ene is C=C(C)C(C)C(C)CCCCCCCCCC.
What is the InChIKey of 2,3,4-trimethyltetradec-1-ene?
The InChIKey is HAVWCWSIAJTIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34/c1-6-7-8-9-10-11-12-13-14-16(4)17(5)15(2)3/h16-17H,2,6-14H2,1,3-5H3.
What are the key properties of 2,3,4-trimethyltetradec-1-ene?
2,3,4-trimethyltetradec-1-ene has a molecular weight of 238.46 g/mol, XLogP of 6.37, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethyltetradec-1-ene is sourced from PubChem (CID 123582556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).