4,8,12-trimethyltridec-1-ene

C16H32 — CID 528467

IUPAC4,8,12-trimethyltridec-1-ene
SMILESC=CCC(C)CCCC(C)CCCC(C)C
InChIInChI=1S/C16H32/c1-6-9-15(4)12-8-13-16(5)11-7-10-14(2)3/h6,14-16H,1,7-13H2,2-5H3
InChIKeyDEQOCZHCEVDSLM-UHFFFAOYSA-N
MW224.43 g/mol
LogP5.83
Rot. Bonds10

About 4,8,12-trimethyltridec-1-ene

4,8,12-trimethyltridec-1-ene (PubChem CID 528467) has the molecular formula C16H32 and a molecular weight of 224.43 g/mol. Its IUPAC name is 4,8,12-trimethyltridec-1-ene.

Molecular Properties

Compound Name4,8,12-trimethyltridec-1-ene
PubChem CID528467
Molecular FormulaC16H32
Molecular Weight224.43 g/mol
Exact Mass224.25
IUPAC Name4,8,12-trimethyltridec-1-ene
SMILESC=CCC(C)CCCC(C)CCCC(C)C
InChIInChI=1S/C16H32/c1-6-9-15(4)12-8-13-16(5)11-7-10-14(2)3/h6,14-16H,1,7-13H2,2-5H3
InChIKeyDEQOCZHCEVDSLM-UHFFFAOYSA-N
XLogP5.83
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 ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,8,12-trimethyltridec-1-ene?
The IUPAC name of 4,8,12-trimethyltridec-1-ene (CID 528467) is 4,8,12-trimethyltridec-1-ene.
What is the SMILES notation for 4,8,12-trimethyltridec-1-ene?
The canonical SMILES for 4,8,12-trimethyltridec-1-ene is C=CCC(C)CCCC(C)CCCC(C)C.
What is the InChIKey of 4,8,12-trimethyltridec-1-ene?
The InChIKey is DEQOCZHCEVDSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32/c1-6-9-15(4)12-8-13-16(5)11-7-10-14(2)3/h6,14-16H,1,7-13H2,2-5H3.
What are the key properties of 4,8,12-trimethyltridec-1-ene?
4,8,12-trimethyltridec-1-ene has a molecular weight of 224.43 g/mol, XLogP of 5.83, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8,12-trimethyltridec-1-ene is sourced from PubChem (CID 528467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).