2,6,10-trimethyl-7-(3-methylbutyl)dodecane

C20H42 — CID 6430052

IUPAC2,6,10-trimethyl-7-(3-methylbutyl)dodecane
SMILESCCC(C)CCC(CCC(C)C)C(C)CCCC(C)C
InChIInChI=1S/C20H42/c1-8-18(6)13-15-20(14-12-17(4)5)19(7)11-9-10-16(2)3/h16-20H,8-15H2,1-7H3
InChIKeyLSVDXMJHSYNAGC-UHFFFAOYSA-N
MW282.56 g/mol
LogP7.33
Rot. Bonds12

About 2,6,10-trimethyl-7-(3-methylbutyl)dodecane

2,6,10-trimethyl-7-(3-methylbutyl)dodecane (PubChem CID 6430052) has the molecular formula C20H42 and a molecular weight of 282.56 g/mol. Its IUPAC name is 2,6,10-trimethyl-7-(3-methylbutyl)dodecane.

Molecular Properties

Compound Name2,6,10-trimethyl-7-(3-methylbutyl)dodecane
PubChem CID6430052
Molecular FormulaC20H42
Molecular Weight282.56 g/mol
Exact Mass282.33
IUPAC Name2,6,10-trimethyl-7-(3-methylbutyl)dodecane
SMILESCCC(C)CCC(CCC(C)C)C(C)CCCC(C)C
InChIInChI=1S/C20H42/c1-8-18(6)13-15-20(14-12-17(4)5)19(7)11-9-10-16(2)3/h16-20H,8-15H2,1-7H3
InChIKeyLSVDXMJHSYNAGC-UHFFFAOYSA-N
XLogP7.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.56
LogP ≤ 57.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,6,10-trimethyl-7-(3-methylbutyl)dodecane?
The IUPAC name of 2,6,10-trimethyl-7-(3-methylbutyl)dodecane (CID 6430052) is 2,6,10-trimethyl-7-(3-methylbutyl)dodecane.
What is the SMILES notation for 2,6,10-trimethyl-7-(3-methylbutyl)dodecane?
The canonical SMILES for 2,6,10-trimethyl-7-(3-methylbutyl)dodecane is CCC(C)CCC(CCC(C)C)C(C)CCCC(C)C.
What is the InChIKey of 2,6,10-trimethyl-7-(3-methylbutyl)dodecane?
The InChIKey is LSVDXMJHSYNAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42/c1-8-18(6)13-15-20(14-12-17(4)5)19(7)11-9-10-16(2)3/h16-20H,8-15H2,1-7H3.
What are the key properties of 2,6,10-trimethyl-7-(3-methylbutyl)dodecane?
2,6,10-trimethyl-7-(3-methylbutyl)dodecane has a molecular weight of 282.56 g/mol, XLogP of 7.33, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,10-trimethyl-7-(3-methylbutyl)dodecane is sourced from PubChem (CID 6430052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).