6-butyl-4,8-dipropylundecane

C21H44 — CID 158410657

IUPAC6-butyl-4,8-dipropylundecane
SMILESCCCCC(CC(CCC)CCC)CC(CCC)CCC
InChIInChI=1S/C21H44/c1-6-11-16-21(17-19(12-7-2)13-8-3)18-20(14-9-4)15-10-5/h19-21H,6-18H2,1-5H3
InChIKeyGZGPCVNMTHBOTH-UHFFFAOYSA-N
MW296.58 g/mol
LogP8.01
Rot. Bonds15

About 6-butyl-4,8-dipropylundecane

6-butyl-4,8-dipropylundecane (PubChem CID 158410657) has the molecular formula C21H44 and a molecular weight of 296.58 g/mol. Its IUPAC name is 6-butyl-4,8-dipropylundecane.

Molecular Properties

Compound Name6-butyl-4,8-dipropylundecane
PubChem CID158410657
Molecular FormulaC21H44
Molecular Weight296.58 g/mol
Exact Mass296.34
IUPAC Name6-butyl-4,8-dipropylundecane
SMILESCCCCC(CC(CCC)CCC)CC(CCC)CCC
InChIInChI=1S/C21H44/c1-6-11-16-21(17-19(12-7-2)13-8-3)18-20(14-9-4)15-10-5/h19-21H,6-18H2,1-5H3
InChIKeyGZGPCVNMTHBOTH-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

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Related Compounds

8-pentyl-6,10-dipropylpentadecane
CID 58892246
9-butyl-7-propylheptadecane
CID 91567761
7-butyl-9-propylhexadecane
CID 91502397
8-heptyl-10-propyloctadecane
CID 90802423
7,9-dipropylhexadecane
CID 91047634
9-hexyl-7-propylheptadecane
CID 91243882
5,7-dibutylundecane;nonane
CID 159714693
5,9-diethyl-7-(2-ethylpentyl)tridecane
CID 170533070
5,7-dibutyltridecane
CID 14297331
8-butyl-10-pentylheptadecane
CID 91542009
5,9-dibutyl-13-propylheptadecane
CID 58862392
methane;4-propyloctane
CID 160687994

Frequently Asked Questions

What is the IUPAC name of 6-butyl-4,8-dipropylundecane?
The IUPAC name of 6-butyl-4,8-dipropylundecane (CID 158410657) is 6-butyl-4,8-dipropylundecane.
What is the SMILES notation for 6-butyl-4,8-dipropylundecane?
The canonical SMILES for 6-butyl-4,8-dipropylundecane is CCCCC(CC(CCC)CCC)CC(CCC)CCC.
What is the InChIKey of 6-butyl-4,8-dipropylundecane?
The InChIKey is GZGPCVNMTHBOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44/c1-6-11-16-21(17-19(12-7-2)13-8-3)18-20(14-9-4)15-10-5/h19-21H,6-18H2,1-5H3.
What are the key properties of 6-butyl-4,8-dipropylundecane?
6-butyl-4,8-dipropylundecane 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 6-butyl-4,8-dipropylundecane is sourced from PubChem (CID 158410657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).