7-butyl-4-methylundecane

C16H34 — CID 59977721

IUPAC7-butyl-4-methylundecane
SMILESCCCCC(CCCC)CCC(C)CCC
InChIInChI=1S/C16H34/c1-5-8-11-16(12-9-6-2)14-13-15(4)10-7-3/h15-16H,5-14H2,1-4H3
InChIKeyZUBIYIRYCUNDMY-UHFFFAOYSA-N
MW226.45 g/mol
LogP6.20
Rot. Bonds11

About 7-butyl-4-methylundecane

7-butyl-4-methylundecane (PubChem CID 59977721) has the molecular formula C16H34 and a molecular weight of 226.45 g/mol. Its IUPAC name is 7-butyl-4-methylundecane.

Molecular Properties

Compound Name7-butyl-4-methylundecane
PubChem CID59977721
Molecular FormulaC16H34
Molecular Weight226.45 g/mol
Exact Mass226.27
IUPAC Name7-butyl-4-methylundecane
SMILESCCCCC(CCCC)CCC(C)CCC
InChIInChI=1S/C16H34/c1-5-8-11-16(12-9-6-2)14-13-15(4)10-7-3/h15-16H,5-14H2,1-4H3
InChIKeyZUBIYIRYCUNDMY-UHFFFAOYSA-N
XLogP6.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.45
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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3-ethyl-6-methyldecane
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(5R)-2-methyl-5-propylnonane
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4,13-dimethylheptadecane
CID 6430494
methane;4-propyloctane
CID 160687994
5,9-dibutyl-13-propylheptadecane
CID 58862392
ethane;2-methyl-5-propylnonane
CID 171073854
10-methyl-6,15-dipropylicosane
CID 144641599
5-ethyl-8-methyltetradecane
CID 158454229
15-butyl-3,6-dimethylhexacosane
CID 153276660

Frequently Asked Questions

What is the IUPAC name of 7-butyl-4-methylundecane?
The IUPAC name of 7-butyl-4-methylundecane (CID 59977721) is 7-butyl-4-methylundecane.
What is the SMILES notation for 7-butyl-4-methylundecane?
The canonical SMILES for 7-butyl-4-methylundecane is CCCCC(CCCC)CCC(C)CCC.
What is the InChIKey of 7-butyl-4-methylundecane?
The InChIKey is ZUBIYIRYCUNDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34/c1-5-8-11-16(12-9-6-2)14-13-15(4)10-7-3/h15-16H,5-14H2,1-4H3.
What are the key properties of 7-butyl-4-methylundecane?
7-butyl-4-methylundecane has a molecular weight of 226.45 g/mol, XLogP of 6.20, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butyl-4-methylundecane is sourced from PubChem (CID 59977721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).