7-butan-2-yl-5-ethyl-4,6,7,8,9,10-hexamethyltridecane

C25H52 — CID 123196555

IUPAC7-butan-2-yl-5-ethyl-4,6,7,8,9,10-hexamethyltridecane
SMILESCCCC(C)C(C)C(C)C(C)(C(C)CC)C(C)C(CC)C(C)CCC
InChIInChI=1S/C25H52/c1-12-16-18(5)21(8)22(9)25(11,20(7)14-3)23(10)24(15-4)19(6)17-13-2/h18-24H,12-17H2,1-11H3
InChIKeyDURIPYABIRDTFN-UHFFFAOYSA-N
MW352.69 g/mol
LogP8.85
Rot. Bonds13

About 7-butan-2-yl-5-ethyl-4,6,7,8,9,10-hexamethyltridecane

7-butan-2-yl-5-ethyl-4,6,7,8,9,10-hexamethyltridecane (PubChem CID 123196555) has the molecular formula C25H52 and a molecular weight of 352.69 g/mol. Its IUPAC name is 7-butan-2-yl-5-ethyl-4,6,7,8,9,10-hexamethyltridecane.

Molecular Properties

Compound Name7-butan-2-yl-5-ethyl-4,6,7,8,9,10-hexamethyltridecane
PubChem CID123196555
Molecular FormulaC25H52
Molecular Weight352.69 g/mol
Exact Mass352.41
IUPAC Name7-butan-2-yl-5-ethyl-4,6,7,8,9,10-hexamethyltridecane
SMILESCCCC(C)C(C)C(C)C(C)(C(C)CC)C(C)C(CC)C(C)CCC
InChIInChI=1S/C25H52/c1-12-16-18(5)21(8)22(9)25(11,20(7)14-3)23(10)24(15-4)19(6)17-13-2/h18-24H,12-17H2,1-11H3
InChIKeyDURIPYABIRDTFN-UHFFFAOYSA-N
XLogP8.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.69
LogP ≤ 58.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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(3R)-3,4-dimethylheptane
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(2S)-3-ethyl-2-fluoro-1-iodo-4-methylheptane
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2,2,3,4,5-pentamethylheptane
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5-tert-butyl-4,6-dimethylnonane
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Frequently Asked Questions

What is the IUPAC name of 7-butan-2-yl-5-ethyl-4,6,7,8,9,10-hexamethyltridecane?
The IUPAC name of 7-butan-2-yl-5-ethyl-4,6,7,8,9,10-hexamethyltridecane (CID 123196555) is 7-butan-2-yl-5-ethyl-4,6,7,8,9,10-hexamethyltridecane.
What is the SMILES notation for 7-butan-2-yl-5-ethyl-4,6,7,8,9,10-hexamethyltridecane?
The canonical SMILES for 7-butan-2-yl-5-ethyl-4,6,7,8,9,10-hexamethyltridecane is CCCC(C)C(C)C(C)C(C)(C(C)CC)C(C)C(CC)C(C)CCC.
What is the InChIKey of 7-butan-2-yl-5-ethyl-4,6,7,8,9,10-hexamethyltridecane?
The InChIKey is DURIPYABIRDTFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H52/c1-12-16-18(5)21(8)22(9)25(11,20(7)14-3)23(10)24(15-4)19(6)17-13-2/h18-24H,12-17H2,1-11H3.
What are the key properties of 7-butan-2-yl-5-ethyl-4,6,7,8,9,10-hexamethyltridecane?
7-butan-2-yl-5-ethyl-4,6,7,8,9,10-hexamethyltridecane has a molecular weight of 352.69 g/mol, XLogP of 8.85, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butan-2-yl-5-ethyl-4,6,7,8,9,10-hexamethyltridecane is sourced from PubChem (CID 123196555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).