6-butyl-3,7-dimethylundecane

C17H36 — CID 123359248

IUPAC6-butyl-3,7-dimethylundecane
SMILESCCCCC(C)C(CCCC)CCC(C)CC
InChIInChI=1S/C17H36/c1-6-9-11-16(5)17(12-10-7-2)14-13-15(4)8-3/h15-17H,6-14H2,1-5H3
InChIKeyPGONWACOPOWVNF-UHFFFAOYSA-N
MW240.47 g/mol
LogP6.45
Rot. Bonds11

About 6-butyl-3,7-dimethylundecane

6-butyl-3,7-dimethylundecane (PubChem CID 123359248) has the molecular formula C17H36 and a molecular weight of 240.47 g/mol. Its IUPAC name is 6-butyl-3,7-dimethylundecane.

Molecular Properties

Compound Name6-butyl-3,7-dimethylundecane
PubChem CID123359248
Molecular FormulaC17H36
Molecular Weight240.47 g/mol
Exact Mass240.28
IUPAC Name6-butyl-3,7-dimethylundecane
SMILESCCCCC(C)C(CCCC)CCC(C)CC
InChIInChI=1S/C17H36/c1-6-9-11-16(5)17(12-10-7-2)14-13-15(4)8-3/h15-17H,6-14H2,1-5H3
InChIKeyPGONWACOPOWVNF-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

3,7-dimethyl-6-(2-methylpropyl)undecane
CID 123589473
5-butyl-2,6-dimethyldecane
CID 123775332
9-butyl-10-methyloctadecane
CID 174796911
11-butyl-12-methyldocosane
CID 151619606
(3R,6S)-3,6-dimethyldecane
CID 170848353
3-methyl-6-propan-2-ylundecane
CID 123788850
8-methyl-7-pentylhexadecane
CID 123739023
3-methylheptane;nickel
CID 158967838
prop-1-ene;3,6,7-trimethylundecane
CID 145154511
11-butyl-4,12-dimethylhexacosane
CID 153276658
3-ethyl-4,8-dimethyldecane
CID 57491716
3,6,7,8-tetramethyltridecane
CID 123428805

Frequently Asked Questions

What is the IUPAC name of 6-butyl-3,7-dimethylundecane?
The IUPAC name of 6-butyl-3,7-dimethylundecane (CID 123359248) is 6-butyl-3,7-dimethylundecane.
What is the SMILES notation for 6-butyl-3,7-dimethylundecane?
The canonical SMILES for 6-butyl-3,7-dimethylundecane is CCCCC(C)C(CCCC)CCC(C)CC.
What is the InChIKey of 6-butyl-3,7-dimethylundecane?
The InChIKey is PGONWACOPOWVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36/c1-6-9-11-16(5)17(12-10-7-2)14-13-15(4)8-3/h15-17H,6-14H2,1-5H3.
What are the key properties of 6-butyl-3,7-dimethylundecane?
6-butyl-3,7-dimethylundecane 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 6-butyl-3,7-dimethylundecane is sourced from PubChem (CID 123359248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).