3,6,8,9-tetramethyltridec-4-ene

C17H34 — CID 123991866

IUPAC3,6,8,9-tetramethyltridec-4-ene
SMILESCCCCC(C)C(C)CC(C)C=CC(C)CC
InChIInChI=1S/C17H34/c1-7-9-10-16(5)17(6)13-15(4)12-11-14(3)8-2/h11-12,14-17H,7-10,13H2,1-6H3
InChIKeySJJZFNBWYXKRCG-UHFFFAOYSA-N
MW238.46 g/mol
LogP6.08
Rot. Bonds9

About 3,6,8,9-tetramethyltridec-4-ene

3,6,8,9-tetramethyltridec-4-ene (PubChem CID 123991866) has the molecular formula C17H34 and a molecular weight of 238.46 g/mol. Its IUPAC name is 3,6,8,9-tetramethyltridec-4-ene.

Molecular Properties

Compound Name3,6,8,9-tetramethyltridec-4-ene
PubChem CID123991866
Molecular FormulaC17H34
Molecular Weight238.46 g/mol
Exact Mass238.27
IUPAC Name3,6,8,9-tetramethyltridec-4-ene
SMILESCCCCC(C)C(C)CC(C)C=CC(C)CC
InChIInChI=1S/C17H34/c1-7-9-10-16(5)17(6)13-15(4)12-11-14(3)8-2/h11-12,14-17H,7-10,13H2,1-6H3
InChIKeySJJZFNBWYXKRCG-UHFFFAOYSA-N
XLogP6.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.46
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3,5,6-trimethyldecane
CID 57490917
3,6-dimethyloct-4-ene
CID 73165576
5,6,14,15-tetramethylnonadecane
CID 123473711
3,4-dimethyloctane-1,1-diamine
CID 156699535
3,5-diethyl-4,7,8-trimethyldodecane
CID 123740222
3,6-dimethyloct-4-ene-1,1-diol
CID 139779740
dibutyl-ethyl-methylphosphanium
CID 58444360
(5S,6R)-2,5,6-trimethyldecane
CID 154723790
2,4,5-trimethyldodecane
CID 123969029
(E)-3-methylnon-4-ene
CID 13082837
3,4-dimethyloctane;ethane;ethene;propane
CID 142827223
4,6-dimethyldec-2-ene
CID 123345769

Frequently Asked Questions

What is the IUPAC name of 3,6,8,9-tetramethyltridec-4-ene?
The IUPAC name of 3,6,8,9-tetramethyltridec-4-ene (CID 123991866) is 3,6,8,9-tetramethyltridec-4-ene.
What is the SMILES notation for 3,6,8,9-tetramethyltridec-4-ene?
The canonical SMILES for 3,6,8,9-tetramethyltridec-4-ene is CCCCC(C)C(C)CC(C)C=CC(C)CC.
What is the InChIKey of 3,6,8,9-tetramethyltridec-4-ene?
The InChIKey is SJJZFNBWYXKRCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34/c1-7-9-10-16(5)17(6)13-15(4)12-11-14(3)8-2/h11-12,14-17H,7-10,13H2,1-6H3.
What are the key properties of 3,6,8,9-tetramethyltridec-4-ene?
3,6,8,9-tetramethyltridec-4-ene has a molecular weight of 238.46 g/mol, XLogP of 6.08, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,8,9-tetramethyltridec-4-ene is sourced from PubChem (CID 123991866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).