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

C24H50 — CID 170533070

IUPAC5,9-diethyl-7-(2-ethylpentyl)tridecane
SMILESCCCCC(CC)CC(CC(CC)CCC)CC(CC)CCCC
InChIInChI=1S/C24H50/c1-7-13-16-22(11-5)19-24(18-21(10-4)15-9-3)20-23(12-6)17-14-8-2/h21-24H,7-20H2,1-6H3
InChIKeyDMLZQDYLKLCNPZ-UHFFFAOYSA-N
MW338.66 g/mol
LogP9.03
Rot. Bonds17

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

5,9-diethyl-7-(2-ethylpentyl)tridecane (PubChem CID 170533070) has the molecular formula C24H50 and a molecular weight of 338.66 g/mol. Its IUPAC name is 5,9-diethyl-7-(2-ethylpentyl)tridecane.

Molecular Properties

Compound Name5,9-diethyl-7-(2-ethylpentyl)tridecane
PubChem CID170533070
Molecular FormulaC24H50
Molecular Weight338.66 g/mol
Exact Mass338.39
IUPAC Name5,9-diethyl-7-(2-ethylpentyl)tridecane
SMILESCCCCC(CC)CC(CC(CC)CCC)CC(CC)CCCC
InChIInChI=1S/C24H50/c1-7-13-16-22(11-5)19-24(18-21(10-4)15-9-3)20-23(12-6)17-14-8-2/h21-24H,7-20H2,1-6H3
InChIKeyDMLZQDYLKLCNPZ-UHFFFAOYSA-N
XLogP9.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.66
LogP ≤ 59.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(5S)-3,5-diethylnonane;methane
CID 159387669
4-ethyl-6-propyltetradecane
CID 91553020
4-ethyl-6-propyltridecane
CID 90859634
5,9-diethyl-7-(2-methylpropyl)tridecane
CID 173141748
8-ethyl-10-propyloctadecane
CID 91006189
6-ethyl-4-methyldecane
CID 22224210
5-ethylnonane;5-propylnonane
CID 157441807
6-butyl-4,8-dipropylundecane
CID 158410657
5,8,10-triethylpentadecane
CID 123791231
8-ethyl-4,6-dimethyldodecane
CID 123186055
1-bromo-2-(bromomethyl)-4-ethyloctane
CID 79453093
4-ethyl-2-pentylheptan-1-ol
CID 23315856

Frequently Asked Questions

What is the IUPAC name of 5,9-diethyl-7-(2-ethylpentyl)tridecane?
The IUPAC name of 5,9-diethyl-7-(2-ethylpentyl)tridecane (CID 170533070) is 5,9-diethyl-7-(2-ethylpentyl)tridecane.
What is the SMILES notation for 5,9-diethyl-7-(2-ethylpentyl)tridecane?
The canonical SMILES for 5,9-diethyl-7-(2-ethylpentyl)tridecane is CCCCC(CC)CC(CC(CC)CCC)CC(CC)CCCC.
What is the InChIKey of 5,9-diethyl-7-(2-ethylpentyl)tridecane?
The InChIKey is DMLZQDYLKLCNPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50/c1-7-13-16-22(11-5)19-24(18-21(10-4)15-9-3)20-23(12-6)17-14-8-2/h21-24H,7-20H2,1-6H3.
What are the key properties of 5,9-diethyl-7-(2-ethylpentyl)tridecane?
5,9-diethyl-7-(2-ethylpentyl)tridecane has a molecular weight of 338.66 g/mol, XLogP of 9.03, 17 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-ethylpentyl)tridecane is sourced from PubChem (CID 170533070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).