4,5,7-triethylundecane

C17H36 — CID 123222302

IUPAC4,5,7-triethylundecane
SMILESCCCCC(CC)CC(CC)C(CC)CCC
InChIInChI=1S/C17H36/c1-6-11-13-15(8-3)14-17(10-5)16(9-4)12-7-2/h15-17H,6-14H2,1-5H3
InChIKeyYCLXJLDGQDYGQT-UHFFFAOYSA-N
MW240.47 g/mol
LogP6.45
Rot. Bonds11

About 4,5,7-triethylundecane

4,5,7-triethylundecane (PubChem CID 123222302) has the molecular formula C17H36 and a molecular weight of 240.47 g/mol. Its IUPAC name is 4,5,7-triethylundecane.

Molecular Properties

Compound Name4,5,7-triethylundecane
PubChem CID123222302
Molecular FormulaC17H36
Molecular Weight240.47 g/mol
Exact Mass240.28
IUPAC Name4,5,7-triethylundecane
SMILESCCCCC(CC)CC(CC)C(CC)CCC
InChIInChI=1S/C17H36/c1-6-11-13-15(8-3)14-17(10-5)16(9-4)12-7-2/h15-17H,6-14H2,1-5H3
InChIKeyYCLXJLDGQDYGQT-UHFFFAOYSA-N
XLogP6.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.47
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4,5-diethylnonane
CID 21188862
5,9-diethyl-7-(2-ethylpentyl)tridecane
CID 170533070
(5S)-3,5-diethylnonane;methane
CID 159387669
4-ethyl-6-hexan-3-yl-10-methyltridecane
CID 91319415
6-ethyl-4-methyldecane
CID 22224210
4,5-diethyloctane
CID 519254
8-butan-2-yl-6-ethylpentadecane
CID 123398993
4-ethyl-2-propan-2-yloctan-1-ol
CID 66060699
5-ethylnonane;5-propylnonane
CID 157441807
5,8,10-triethylpentadecane
CID 123791231
3,5-diethyl-2-methyloctane
CID 57491216
8-ethyl-4,6-dimethyldodecane
CID 123186055

Frequently Asked Questions

What is the IUPAC name of 4,5,7-triethylundecane?
The IUPAC name of 4,5,7-triethylundecane (CID 123222302) is 4,5,7-triethylundecane.
What is the SMILES notation for 4,5,7-triethylundecane?
The canonical SMILES for 4,5,7-triethylundecane is CCCCC(CC)CC(CC)C(CC)CCC.
What is the InChIKey of 4,5,7-triethylundecane?
The InChIKey is YCLXJLDGQDYGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36/c1-6-11-13-15(8-3)14-17(10-5)16(9-4)12-7-2/h15-17H,6-14H2,1-5H3.
What are the key properties of 4,5,7-triethylundecane?
4,5,7-triethylundecane has a molecular weight of 240.47 g/mol, XLogP of 6.45, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,7-triethylundecane is sourced from PubChem (CID 123222302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).