5,8,10-triethylpentadecane

C21H44 — CID 123791231

IUPAC5,8,10-triethylpentadecane
SMILESCCCCCC(CC)CC(CC)CCC(CC)CCCC
InChIInChI=1S/C21H44/c1-6-11-13-15-20(9-4)18-21(10-5)17-16-19(8-3)14-12-7-2/h19-21H,6-18H2,1-5H3
InChIKeyHANKNFXXYJYQQO-UHFFFAOYSA-N
MW296.58 g/mol
LogP8.01
Rot. Bonds15

About 5,8,10-triethylpentadecane

5,8,10-triethylpentadecane (PubChem CID 123791231) has the molecular formula C21H44 and a molecular weight of 296.58 g/mol. Its IUPAC name is 5,8,10-triethylpentadecane.

Molecular Properties

Compound Name5,8,10-triethylpentadecane
PubChem CID123791231
Molecular FormulaC21H44
Molecular Weight296.58 g/mol
Exact Mass296.34
IUPAC Name5,8,10-triethylpentadecane
SMILESCCCCCC(CC)CC(CC)CCC(CC)CCCC
InChIInChI=1S/C21H44/c1-6-11-13-15-20(9-4)18-21(10-5)17-16-19(8-3)14-12-7-2/h19-21H,6-18H2,1-5H3
InChIKeyHANKNFXXYJYQQO-UHFFFAOYSA-N
XLogP8.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.58
LogP ≤ 58.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

9-ethyl-7-pentylhexadecane
CID 91283125
9-ethyl-11-heptylnonadecane
CID 90975246
3,6-diethylundecane
CID 22051817
(5S)-3,5-diethylnonane;methane
CID 159387669
12-ethylhentriacontane
CID 91805956
15-ethyltetratriacontane
CID 23358557
7-ethyltetracosane
CID 22223872
7-ethyltetradecane
CID 529902
8-ethyl-10-propyloctadecane
CID 91006189
4-ethyl-6-propyltetradecane
CID 91553020
4-ethyl-6-propyltridecane
CID 90859634
5,9-diethyl-7-(2-ethylpentyl)tridecane
CID 170533070

Frequently Asked Questions

What is the IUPAC name of 5,8,10-triethylpentadecane?
The IUPAC name of 5,8,10-triethylpentadecane (CID 123791231) is 5,8,10-triethylpentadecane.
What is the SMILES notation for 5,8,10-triethylpentadecane?
The canonical SMILES for 5,8,10-triethylpentadecane is CCCCCC(CC)CC(CC)CCC(CC)CCCC.
What is the InChIKey of 5,8,10-triethylpentadecane?
The InChIKey is HANKNFXXYJYQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44/c1-6-11-13-15-20(9-4)18-21(10-5)17-16-19(8-3)14-12-7-2/h19-21H,6-18H2,1-5H3.
What are the key properties of 5,8,10-triethylpentadecane?
5,8,10-triethylpentadecane has a molecular weight of 296.58 g/mol, XLogP of 8.01, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8,10-triethylpentadecane is sourced from PubChem (CID 123791231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).