2,3,4-trimethyldecane

C13H28 — CID 537769

IUPAC2,3,4-trimethyldecane
SMILESCCCCCCC(C)C(C)C(C)C
InChIInChI=1S/C13H28/c1-6-7-8-9-10-12(4)13(5)11(2)3/h11-13H,6-10H2,1-5H3
InChIKeyYFHGNGNLIWGTTR-UHFFFAOYSA-N
MW184.37 g/mol
LogP4.89
Rot. Bonds7

About 2,3,4-trimethyldecane

2,3,4-trimethyldecane (PubChem CID 537769) has the molecular formula C13H28 and a molecular weight of 184.37 g/mol. Its IUPAC name is 2,3,4-trimethyldecane.

Molecular Properties

Compound Name2,3,4-trimethyldecane
PubChem CID537769
Molecular FormulaC13H28
Molecular Weight184.37 g/mol
Exact Mass184.22
IUPAC Name2,3,4-trimethyldecane
SMILESCCCCCCC(C)C(C)C(C)C
InChIInChI=1S/C13H28/c1-6-7-8-9-10-12(4)13(5)11(2)3/h11-13H,6-10H2,1-5H3
InChIKeyYFHGNGNLIWGTTR-UHFFFAOYSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.37
LogP ≤ 54.89
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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Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethyldecane?
The IUPAC name of 2,3,4-trimethyldecane (CID 537769) is 2,3,4-trimethyldecane.
What is the SMILES notation for 2,3,4-trimethyldecane?
The canonical SMILES for 2,3,4-trimethyldecane is CCCCCCC(C)C(C)C(C)C.
What is the InChIKey of 2,3,4-trimethyldecane?
The InChIKey is YFHGNGNLIWGTTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28/c1-6-7-8-9-10-12(4)13(5)11(2)3/h11-13H,6-10H2,1-5H3.
What are the key properties of 2,3,4-trimethyldecane?
2,3,4-trimethyldecane has a molecular weight of 184.37 g/mol, XLogP of 4.89, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethyldecane is sourced from PubChem (CID 537769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).