3,4,11-trimethyltridecane

C16H34 — CID 123211760

IUPAC3,4,11-trimethyltridecane
SMILESCCC(C)CCCCCCC(C)C(C)CC
InChIInChI=1S/C16H34/c1-6-14(3)12-10-8-9-11-13-16(5)15(4)7-2/h14-16H,6-13H2,1-5H3
InChIKeyBOCKRFHLIPIEIJ-UHFFFAOYSA-N
MW226.45 g/mol
LogP6.06
Rot. Bonds10

About 3,4,11-trimethyltridecane

3,4,11-trimethyltridecane (PubChem CID 123211760) has the molecular formula C16H34 and a molecular weight of 226.45 g/mol. Its IUPAC name is 3,4,11-trimethyltridecane.

Molecular Properties

Compound Name3,4,11-trimethyltridecane
PubChem CID123211760
Molecular FormulaC16H34
Molecular Weight226.45 g/mol
Exact Mass226.27
IUPAC Name3,4,11-trimethyltridecane
SMILESCCC(C)CCCCCCC(C)C(C)CC
InChIInChI=1S/C16H34/c1-6-14(3)12-10-8-9-11-13-16(5)15(4)7-2/h14-16H,6-13H2,1-5H3
InChIKeyBOCKRFHLIPIEIJ-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

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CID 57491510
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CID 57491716
3,4-dimethyldecane;ethane
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(3R)-3-methylhexacosane
CID 134824557
(3R)-3-methyloctadecane
CID 98094048
3-methyldodecane
CID 28469
hexane;3-methylnonane
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(3R)-3-methyltetracosane
CID 162842417
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CID 86173032
(3R,7R)-3,7-dimethylnonane
CID 42626759
3,13,19-trimethylheptatriacontane
CID 172565400

Frequently Asked Questions

What is the IUPAC name of 3,4,11-trimethyltridecane?
The IUPAC name of 3,4,11-trimethyltridecane (CID 123211760) is 3,4,11-trimethyltridecane.
What is the SMILES notation for 3,4,11-trimethyltridecane?
The canonical SMILES for 3,4,11-trimethyltridecane is CCC(C)CCCCCCC(C)C(C)CC.
What is the InChIKey of 3,4,11-trimethyltridecane?
The InChIKey is BOCKRFHLIPIEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34/c1-6-14(3)12-10-8-9-11-13-16(5)15(4)7-2/h14-16H,6-13H2,1-5H3.
What are the key properties of 3,4,11-trimethyltridecane?
3,4,11-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 3,4,11-trimethyltridecane is sourced from PubChem (CID 123211760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).