6-butyl-2,10-dimethyl-6-(4-methylpentyl)undecane

C23H48 — CID 157290295

IUPAC6-butyl-2,10-dimethyl-6-(4-methylpentyl)undecane
SMILESCCCCC(CCCC(C)C)(CCCC(C)C)CCCC(C)C
InChIInChI=1S/C23H48/c1-8-9-16-23(17-10-13-20(2)3,18-11-14-21(4)5)19-12-15-22(6)7/h20-22H,8-19H2,1-7H3
InChIKeyBASIOECJPIDJRF-UHFFFAOYSA-N
MW324.64 g/mol
LogP8.64
Rot. Bonds15

About 6-butyl-2,10-dimethyl-6-(4-methylpentyl)undecane

6-butyl-2,10-dimethyl-6-(4-methylpentyl)undecane (PubChem CID 157290295) has the molecular formula C23H48 and a molecular weight of 324.64 g/mol. Its IUPAC name is 6-butyl-2,10-dimethyl-6-(4-methylpentyl)undecane.

Molecular Properties

Compound Name6-butyl-2,10-dimethyl-6-(4-methylpentyl)undecane
PubChem CID157290295
Molecular FormulaC23H48
Molecular Weight324.64 g/mol
Exact Mass324.38
IUPAC Name6-butyl-2,10-dimethyl-6-(4-methylpentyl)undecane
SMILESCCCCC(CCCC(C)C)(CCCC(C)C)CCCC(C)C
InChIInChI=1S/C23H48/c1-8-9-16-23(17-10-13-20(2)3,18-11-14-21(4)5)19-12-15-22(6)7/h20-22H,8-19H2,1-7H3
InChIKeyBASIOECJPIDJRF-UHFFFAOYSA-N
XLogP8.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.64
LogP ≤ 58.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

6,6-dibutyl-2-methyldecane
CID 150480915
2-(3-methylbutyl)-2-pentylpropane-1,3-diol
CID 165147923
2-methylhexane;propane
CID 143695748
2-methylhexane;dihydrate
CID 155319003
2-methylhexane;hydrochloride
CID 172797630
2-butyl-2-ethylpropane-1,3-diol;2-ethyl-2-(2-methylpropyl)propane-1,3-diol
CID 88623677
5-(bromomethyl)-5-ethyl-2-methylnonane
CID 66050233
4,4-dibutyloctan-1-ol
CID 58892760
2-(aminomethyl)-2-(2-methylpropyl)hexan-1-ol
CID 106507831
6-fluoro-2,6-dimethylundecane
CID 155274662
10-methyl-4-propylundecan-4-ol
CID 156689332
2-methyltetratriacontane
CID 14275207

Frequently Asked Questions

What is the IUPAC name of 6-butyl-2,10-dimethyl-6-(4-methylpentyl)undecane?
The IUPAC name of 6-butyl-2,10-dimethyl-6-(4-methylpentyl)undecane (CID 157290295) is 6-butyl-2,10-dimethyl-6-(4-methylpentyl)undecane.
What is the SMILES notation for 6-butyl-2,10-dimethyl-6-(4-methylpentyl)undecane?
The canonical SMILES for 6-butyl-2,10-dimethyl-6-(4-methylpentyl)undecane is CCCCC(CCCC(C)C)(CCCC(C)C)CCCC(C)C.
What is the InChIKey of 6-butyl-2,10-dimethyl-6-(4-methylpentyl)undecane?
The InChIKey is BASIOECJPIDJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48/c1-8-9-16-23(17-10-13-20(2)3,18-11-14-21(4)5)19-12-15-22(6)7/h20-22H,8-19H2,1-7H3.
What are the key properties of 6-butyl-2,10-dimethyl-6-(4-methylpentyl)undecane?
6-butyl-2,10-dimethyl-6-(4-methylpentyl)undecane has a molecular weight of 324.64 g/mol, XLogP of 8.64, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-2,10-dimethyl-6-(4-methylpentyl)undecane is sourced from PubChem (CID 157290295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).