4,8-diethyl-5-methylundecane

C16H34 — CID 59928875

IUPAC4,8-diethyl-5-methylundecane
SMILESCCCC(CC)CCC(C)C(CC)CCC
InChIInChI=1S/C16H34/c1-6-10-15(8-3)13-12-14(5)16(9-4)11-7-2/h14-16H,6-13H2,1-5H3
InChIKeyJDVCHFNMCHDOAB-UHFFFAOYSA-N
MW226.45 g/mol
LogP6.06
Rot. Bonds10

About 4,8-diethyl-5-methylundecane

4,8-diethyl-5-methylundecane (PubChem CID 59928875) has the molecular formula C16H34 and a molecular weight of 226.45 g/mol. Its IUPAC name is 4,8-diethyl-5-methylundecane.

Molecular Properties

Compound Name4,8-diethyl-5-methylundecane
PubChem CID59928875
Molecular FormulaC16H34
Molecular Weight226.45 g/mol
Exact Mass226.27
IUPAC Name4,8-diethyl-5-methylundecane
SMILESCCCC(CC)CCC(C)C(CC)CCC
InChIInChI=1S/C16H34/c1-6-10-15(8-3)13-12-14(5)16(9-4)11-7-2/h14-16H,6-13H2,1-5H3
InChIKeyJDVCHFNMCHDOAB-UHFFFAOYSA-N
XLogP6.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.45
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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6-ethyl-2,5-dimethylnonane
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CID 57491785
4,5-diethyloctane
CID 519254
3,6-diethylnonan-2-amine
CID 123222168
4-ethyl-3-methylheptan-1-amine
CID 143231179
4-ethylheptane;methane
CID 143165373
3-ethyl-2-methylhexan-1-amine
CID 91121737
6-ethyl-3-methylnonane;methane
CID 142358245
CID 160839086
CID 160839086
5-ethyloctan-2-ol
CID 20725141
3,4-diethylheptane;ethane
CID 144734225

Frequently Asked Questions

What is the IUPAC name of 4,8-diethyl-5-methylundecane?
The IUPAC name of 4,8-diethyl-5-methylundecane (CID 59928875) is 4,8-diethyl-5-methylundecane.
What is the SMILES notation for 4,8-diethyl-5-methylundecane?
The canonical SMILES for 4,8-diethyl-5-methylundecane is CCCC(CC)CCC(C)C(CC)CCC.
What is the InChIKey of 4,8-diethyl-5-methylundecane?
The InChIKey is JDVCHFNMCHDOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34/c1-6-10-15(8-3)13-12-14(5)16(9-4)11-7-2/h14-16H,6-13H2,1-5H3.
What are the key properties of 4,8-diethyl-5-methylundecane?
4,8-diethyl-5-methylundecane has a molecular weight of 226.45 g/mol, XLogP of 6.06, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-diethyl-5-methylundecane is sourced from PubChem (CID 59928875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).