4,5,7-trimethyldecane

C13H28 — CID 57490926

IUPAC4,5,7-trimethyldecane
SMILESCCCC(C)CC(C)C(C)CCC
InChIInChI=1S/C13H28/c1-6-8-11(3)10-13(5)12(4)9-7-2/h11-13H,6-10H2,1-5H3
InChIKeyLICSBOILXNUZEF-UHFFFAOYSA-N
MW184.37 g/mol
LogP4.89
Rot. Bonds7

About 4,5,7-trimethyldecane

4,5,7-trimethyldecane (PubChem CID 57490926) has the molecular formula C13H28 and a molecular weight of 184.37 g/mol. Its IUPAC name is 4,5,7-trimethyldecane.

Molecular Properties

Compound Name4,5,7-trimethyldecane
PubChem CID57490926
Molecular FormulaC13H28
Molecular Weight184.37 g/mol
Exact Mass184.22
IUPAC Name4,5,7-trimethyldecane
SMILESCCCC(C)CC(C)C(C)CCC
InChIInChI=1S/C13H28/c1-6-8-11(3)10-13(5)12(4)9-7-2/h11-13H,6-10H2,1-5H3
InChIKeyLICSBOILXNUZEF-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

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Frequently Asked Questions

What is the IUPAC name of 4,5,7-trimethyldecane?
The IUPAC name of 4,5,7-trimethyldecane (CID 57490926) is 4,5,7-trimethyldecane.
What is the SMILES notation for 4,5,7-trimethyldecane?
The canonical SMILES for 4,5,7-trimethyldecane is CCCC(C)CC(C)C(C)CCC.
What is the InChIKey of 4,5,7-trimethyldecane?
The InChIKey is LICSBOILXNUZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28/c1-6-8-11(3)10-13(5)12(4)9-7-2/h11-13H,6-10H2,1-5H3.
What are the key properties of 4,5,7-trimethyldecane?
4,5,7-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 4,5,7-trimethyldecane is sourced from PubChem (CID 57490926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).