2,9,10-trimethyltridecane

C16H34 — CID 123263779

IUPAC2,9,10-trimethyltridecane
SMILESCCCC(C)C(C)CCCCCCC(C)C
InChIInChI=1S/C16H34/c1-6-11-15(4)16(5)13-10-8-7-9-12-14(2)3/h14-16H,6-13H2,1-5H3
InChIKeyRRZSLJMRXGYFDK-UHFFFAOYSA-N
MW226.45 g/mol
LogP6.06
Rot. Bonds10

About 2,9,10-trimethyltridecane

2,9,10-trimethyltridecane (PubChem CID 123263779) has the molecular formula C16H34 and a molecular weight of 226.45 g/mol. Its IUPAC name is 2,9,10-trimethyltridecane.

Molecular Properties

Compound Name2,9,10-trimethyltridecane
PubChem CID123263779
Molecular FormulaC16H34
Molecular Weight226.45 g/mol
Exact Mass226.27
IUPAC Name2,9,10-trimethyltridecane
SMILESCCCC(C)C(C)CCCCCCC(C)C
InChIInChI=1S/C16H34/c1-6-11-15(4)16(5)13-10-8-7-9-12-14(2)3/h14-16H,6-13H2,1-5H3
InChIKeyRRZSLJMRXGYFDK-UHFFFAOYSA-N
XLogP6.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.45
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4,5-dimethylnonadecane
CID 123321090
11,12-dimethyltricosane
CID 173430605
2-methylpentaoctacontane
CID 90745672
16,17-dimethyltritriacontane
CID 91506561
(10S,11S)-10,11-dimethylicosane
CID 14870619
2-methyldecane
CID 23415
11,12-dimethyloctacosane
CID 23345853
2-methyltetratriacontane
CID 14275207
5,6,14,15-tetramethylnonadecane
CID 123473711
2-methyloctacosane
CID 519147
8,9-dimethylhexacosane
CID 160651612
2,5,11-trimethyl-4-propyldodecane
CID 123176237

Frequently Asked Questions

What is the IUPAC name of 2,9,10-trimethyltridecane?
The IUPAC name of 2,9,10-trimethyltridecane (CID 123263779) is 2,9,10-trimethyltridecane.
What is the SMILES notation for 2,9,10-trimethyltridecane?
The canonical SMILES for 2,9,10-trimethyltridecane is CCCC(C)C(C)CCCCCCC(C)C.
What is the InChIKey of 2,9,10-trimethyltridecane?
The InChIKey is RRZSLJMRXGYFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34/c1-6-11-15(4)16(5)13-10-8-7-9-12-14(2)3/h14-16H,6-13H2,1-5H3.
What are the key properties of 2,9,10-trimethyltridecane?
2,9,10-trimethyltridecane has a molecular weight of 226.45 g/mol, XLogP of 6.06, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9,10-trimethyltridecane is sourced from PubChem (CID 123263779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).