2,4,5,6,10-pentamethyltridecane

C18H38 — CID 123410368

IUPAC2,4,5,6,10-pentamethyltridecane
SMILESCCCC(C)CCCC(C)C(C)C(C)CC(C)C
InChIInChI=1S/C18H38/c1-8-10-15(4)11-9-12-16(5)18(7)17(6)13-14(2)3/h14-18H,8-13H2,1-7H3
InChIKeySGYZDXJGMBROOZ-UHFFFAOYSA-N
MW254.50 g/mol
LogP6.55
Rot. Bonds10

About 2,4,5,6,10-pentamethyltridecane

2,4,5,6,10-pentamethyltridecane (PubChem CID 123410368) has the molecular formula C18H38 and a molecular weight of 254.50 g/mol. Its IUPAC name is 2,4,5,6,10-pentamethyltridecane.

Molecular Properties

Compound Name2,4,5,6,10-pentamethyltridecane
PubChem CID123410368
Molecular FormulaC18H38
Molecular Weight254.50 g/mol
Exact Mass254.30
IUPAC Name2,4,5,6,10-pentamethyltridecane
SMILESCCCC(C)CCCC(C)C(C)C(C)CC(C)C
InChIInChI=1S/C18H38/c1-8-10-15(4)11-9-12-16(5)18(7)17(6)13-14(2)3/h14-18H,8-13H2,1-7H3
InChIKeySGYZDXJGMBROOZ-UHFFFAOYSA-N
XLogP6.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.50
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,4,5,8-tetramethylundecane
CID 123839422
2,6,10,14,19,23-hexamethylhexacosane
CID 6428620
2,9,13-trimethylhexadecane
CID 123827297
8-methylundecan-4-amine
CID 64503198
2,4,5,7-tetramethylundecane
CID 91373064
2,4,5,6,8,9,10,12-octamethyltridecane
CID 159934910
4-methylheptane
CID 91413347
4-methylheptane
CID 11512
4,8,14-trimethyltetratriacontane
CID 6431076
6-ethyl-2,10,14-trimethylhexadecane;10-ethyl-2,6,14-trimethylhexadecane;14-ethyl-2,6,10-trimethylhexadecane;2,3,7,11,15-pentamethylhexadecane;2,6,10,14-tetramethylheptadecane;3,7,11,15-tetramethylheptadecane;3,7,11-trimethyltridecane
CID 158279904
6-ethyl-2,10,14-trimethylhexadecane;10-ethyl-2,6,14-trimethylhexadecane;14-ethyl-2,6,10-trimethylhexadecane;2,3,7,11,15-pentamethylhexadecane;2,6,10,14-tetramethylheptadecane;3,7,11,15-tetramethylheptadecane
CID 158613904
2,4,8-trimethyloctacosane
CID 91751081

Frequently Asked Questions

What is the IUPAC name of 2,4,5,6,10-pentamethyltridecane?
The IUPAC name of 2,4,5,6,10-pentamethyltridecane (CID 123410368) is 2,4,5,6,10-pentamethyltridecane.
What is the SMILES notation for 2,4,5,6,10-pentamethyltridecane?
The canonical SMILES for 2,4,5,6,10-pentamethyltridecane is CCCC(C)CCCC(C)C(C)C(C)CC(C)C.
What is the InChIKey of 2,4,5,6,10-pentamethyltridecane?
The InChIKey is SGYZDXJGMBROOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38/c1-8-10-15(4)11-9-12-16(5)18(7)17(6)13-14(2)3/h14-18H,8-13H2,1-7H3.
What are the key properties of 2,4,5,6,10-pentamethyltridecane?
2,4,5,6,10-pentamethyltridecane has a molecular weight of 254.50 g/mol, XLogP of 6.55, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5,6,10-pentamethyltridecane is sourced from PubChem (CID 123410368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).