5,9-diethyl-7-(2-methylpropyl)tridecane

C21H44 — CID 173141748

IUPAC5,9-diethyl-7-(2-methylpropyl)tridecane
SMILESCCCCC(CC)CC(CC(C)C)CC(CC)CCCC
InChIInChI=1S/C21H44/c1-7-11-13-19(9-3)16-21(15-18(5)6)17-20(10-4)14-12-8-2/h18-21H,7-17H2,1-6H3
InChIKeyJSRCDRIDNSACKC-UHFFFAOYSA-N
MW296.58 g/mol
LogP7.86
Rot. Bonds14

About 5,9-diethyl-7-(2-methylpropyl)tridecane

5,9-diethyl-7-(2-methylpropyl)tridecane (PubChem CID 173141748) has the molecular formula C21H44 and a molecular weight of 296.58 g/mol. Its IUPAC name is 5,9-diethyl-7-(2-methylpropyl)tridecane.

Molecular Properties

Compound Name5,9-diethyl-7-(2-methylpropyl)tridecane
PubChem CID173141748
Molecular FormulaC21H44
Molecular Weight296.58 g/mol
Exact Mass296.34
IUPAC Name5,9-diethyl-7-(2-methylpropyl)tridecane
SMILESCCCCC(CC)CC(CC(C)C)CC(CC)CCCC
InChIInChI=1S/C21H44/c1-7-11-13-19(9-3)16-21(15-18(5)6)17-20(10-4)14-12-8-2/h18-21H,7-17H2,1-6H3
InChIKeyJSRCDRIDNSACKC-UHFFFAOYSA-N
XLogP7.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.58
LogP ≤ 57.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-ethyl-2-methyldecane
CID 19893744
5,9-diethyl-7-(2-ethylpentyl)tridecane
CID 170533070
(5S)-3,5-diethylnonane;methane
CID 159387669
8-ethyl-2-methyl-4-propyldodecane
CID 123360222
6-ethyl-4-methyldecane
CID 22224210
5,11-diethyl-7-methylpentadecane
CID 174871265
2-methyl-5-(2-methylpropyl)nonane
CID 57492288
5,8,10-triethylpentadecane
CID 123791231
8-ethyl-4,6-dimethyldodecane
CID 123186055
5-ethyl-7-methylhexadecane
CID 173452938
4-ethyl-2-methylheptane;methane
CID 160575103
1-bromo-2-(bromomethyl)-4-ethyloctane
CID 79453093

Frequently Asked Questions

What is the IUPAC name of 5,9-diethyl-7-(2-methylpropyl)tridecane?
The IUPAC name of 5,9-diethyl-7-(2-methylpropyl)tridecane (CID 173141748) is 5,9-diethyl-7-(2-methylpropyl)tridecane.
What is the SMILES notation for 5,9-diethyl-7-(2-methylpropyl)tridecane?
The canonical SMILES for 5,9-diethyl-7-(2-methylpropyl)tridecane is CCCCC(CC)CC(CC(C)C)CC(CC)CCCC.
What is the InChIKey of 5,9-diethyl-7-(2-methylpropyl)tridecane?
The InChIKey is JSRCDRIDNSACKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44/c1-7-11-13-19(9-3)16-21(15-18(5)6)17-20(10-4)14-12-8-2/h18-21H,7-17H2,1-6H3.
What are the key properties of 5,9-diethyl-7-(2-methylpropyl)tridecane?
5,9-diethyl-7-(2-methylpropyl)tridecane has a molecular weight of 296.58 g/mol, XLogP of 7.86, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,9-diethyl-7-(2-methylpropyl)tridecane is sourced from PubChem (CID 173141748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).