2,3,5,8-tetramethyldecane

C14H30 — CID 545611

IUPAC2,3,5,8-tetramethyldecane
SMILESCCC(C)CCC(C)CC(C)C(C)C
InChIInChI=1S/C14H30/c1-7-12(4)8-9-13(5)10-14(6)11(2)3/h11-14H,7-10H2,1-6H3
InChIKeyXTIADNINQBIUNR-UHFFFAOYSA-N
MW198.39 g/mol
LogP5.13
Rot. Bonds7

About 2,3,5,8-tetramethyldecane

2,3,5,8-tetramethyldecane (PubChem CID 545611) has the molecular formula C14H30 and a molecular weight of 198.39 g/mol. Its IUPAC name is 2,3,5,8-tetramethyldecane.

Molecular Properties

Compound Name2,3,5,8-tetramethyldecane
PubChem CID545611
Molecular FormulaC14H30
Molecular Weight198.39 g/mol
Exact Mass198.23
IUPAC Name2,3,5,8-tetramethyldecane
SMILESCCC(C)CCC(C)CC(C)C(C)C
InChIInChI=1S/C14H30/c1-7-12(4)8-9-13(5)10-14(6)11(2)3/h11-14H,7-10H2,1-6H3
InChIKeyXTIADNINQBIUNR-UHFFFAOYSA-N
XLogP5.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500198.39
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,3,5,8-tetramethyldecane?
The IUPAC name of 2,3,5,8-tetramethyldecane (CID 545611) is 2,3,5,8-tetramethyldecane.
What is the SMILES notation for 2,3,5,8-tetramethyldecane?
The canonical SMILES for 2,3,5,8-tetramethyldecane is CCC(C)CCC(C)CC(C)C(C)C.
What is the InChIKey of 2,3,5,8-tetramethyldecane?
The InChIKey is XTIADNINQBIUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30/c1-7-12(4)8-9-13(5)10-14(6)11(2)3/h11-14H,7-10H2,1-6H3.
What are the key properties of 2,3,5,8-tetramethyldecane?
2,3,5,8-tetramethyldecane has a molecular weight of 198.39 g/mol, XLogP of 5.13, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,8-tetramethyldecane is sourced from PubChem (CID 545611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).