6,6-dibutyl-2-methyldecane

C19H40 — CID 150480915

IUPAC6,6-dibutyl-2-methyldecane
SMILESCCCCC(CCCC)(CCCC)CCCC(C)C
InChIInChI=1S/C19H40/c1-6-9-14-19(15-10-7-2,16-11-8-3)17-12-13-18(4)5/h18H,6-17H2,1-5H3
InChIKeyHTUGOTBNOLMRAE-UHFFFAOYSA-N
MW268.53 g/mol
LogP7.37
Rot. Bonds13

About 6,6-dibutyl-2-methyldecane

6,6-dibutyl-2-methyldecane (PubChem CID 150480915) has the molecular formula C19H40 and a molecular weight of 268.53 g/mol. Its IUPAC name is 6,6-dibutyl-2-methyldecane.

Molecular Properties

Compound Name6,6-dibutyl-2-methyldecane
PubChem CID150480915
Molecular FormulaC19H40
Molecular Weight268.53 g/mol
Exact Mass268.31
IUPAC Name6,6-dibutyl-2-methyldecane
SMILESCCCCC(CCCC)(CCCC)CCCC(C)C
InChIInChI=1S/C19H40/c1-6-9-14-19(15-10-7-2,16-11-8-3)17-12-13-18(4)5/h18H,6-17H2,1-5H3
InChIKeyHTUGOTBNOLMRAE-UHFFFAOYSA-N
XLogP7.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.53
LogP ≤ 57.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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2-butyl-2-ethylpropane-1,3-diol;2-ethyl-2-(2-methylpropyl)propane-1,3-diol
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2-(aminomethyl)-2-(2-methylpropyl)hexan-1-ol
CID 106507831
6-fluoro-2,6-dimethylundecane
CID 155274662
10-methyl-4-propylundecan-4-ol
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Frequently Asked Questions

What is the IUPAC name of 6,6-dibutyl-2-methyldecane?
The IUPAC name of 6,6-dibutyl-2-methyldecane (CID 150480915) is 6,6-dibutyl-2-methyldecane.
What is the SMILES notation for 6,6-dibutyl-2-methyldecane?
The canonical SMILES for 6,6-dibutyl-2-methyldecane is CCCCC(CCCC)(CCCC)CCCC(C)C.
What is the InChIKey of 6,6-dibutyl-2-methyldecane?
The InChIKey is HTUGOTBNOLMRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40/c1-6-9-14-19(15-10-7-2,16-11-8-3)17-12-13-18(4)5/h18H,6-17H2,1-5H3.
What are the key properties of 6,6-dibutyl-2-methyldecane?
6,6-dibutyl-2-methyldecane has a molecular weight of 268.53 g/mol, XLogP of 7.37, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dibutyl-2-methyldecane is sourced from PubChem (CID 150480915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).