2,3,6-trimethyl-8-(4,7,8-trimethylnonan-2-yloxy)nonane

C24H50O — CID 174626284

IUPAC2,3,6-trimethyl-8-(4,7,8-trimethylnonan-2-yloxy)nonane
SMILESCC(CCC(C)C(C)C)CC(C)OC(C)CC(C)CCC(C)C(C)C
InChIInChI=1S/C24H50O/c1-17(2)21(7)13-11-19(5)15-23(9)25-24(10)16-20(6)12-14-22(8)18(3)4/h17-24H,11-16H2,1-10H3
InChIKeyYWJJZZIEULYHIN-UHFFFAOYSA-N
MW354.66 g/mol
LogP7.98
Rot. Bonds14

About 2,3,6-trimethyl-8-(4,7,8-trimethylnonan-2-yloxy)nonane

2,3,6-trimethyl-8-(4,7,8-trimethylnonan-2-yloxy)nonane (PubChem CID 174626284) has the molecular formula C24H50O and a molecular weight of 354.66 g/mol. Its IUPAC name is 2,3,6-trimethyl-8-(4,7,8-trimethylnonan-2-yloxy)nonane.

Molecular Properties

Compound Name2,3,6-trimethyl-8-(4,7,8-trimethylnonan-2-yloxy)nonane
PubChem CID174626284
Molecular FormulaC24H50O
Molecular Weight354.66 g/mol
Exact Mass354.39
IUPAC Name2,3,6-trimethyl-8-(4,7,8-trimethylnonan-2-yloxy)nonane
SMILESCC(CCC(C)C(C)C)CC(C)OC(C)CC(C)CCC(C)C(C)C
InChIInChI=1S/C24H50O/c1-17(2)21(7)13-11-19(5)15-23(9)25-24(10)16-20(6)12-14-22(8)18(3)4/h17-24H,11-16H2,1-10H3
InChIKeyYWJJZZIEULYHIN-UHFFFAOYSA-N
XLogP7.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.66
LogP ≤ 57.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2,3,6-trimethyl-8-(4,7,8-trimethylnonan-2-yloxy)nonane?
The IUPAC name of 2,3,6-trimethyl-8-(4,7,8-trimethylnonan-2-yloxy)nonane (CID 174626284) is 2,3,6-trimethyl-8-(4,7,8-trimethylnonan-2-yloxy)nonane.
What is the SMILES notation for 2,3,6-trimethyl-8-(4,7,8-trimethylnonan-2-yloxy)nonane?
The canonical SMILES for 2,3,6-trimethyl-8-(4,7,8-trimethylnonan-2-yloxy)nonane is CC(CCC(C)C(C)C)CC(C)OC(C)CC(C)CCC(C)C(C)C.
What is the InChIKey of 2,3,6-trimethyl-8-(4,7,8-trimethylnonan-2-yloxy)nonane?
The InChIKey is YWJJZZIEULYHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50O/c1-17(2)21(7)13-11-19(5)15-23(9)25-24(10)16-20(6)12-14-22(8)18(3)4/h17-24H,11-16H2,1-10H3.
What are the key properties of 2,3,6-trimethyl-8-(4,7,8-trimethylnonan-2-yloxy)nonane?
2,3,6-trimethyl-8-(4,7,8-trimethylnonan-2-yloxy)nonane has a molecular weight of 354.66 g/mol, XLogP of 7.98, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6-trimethyl-8-(4,7,8-trimethylnonan-2-yloxy)nonane is sourced from PubChem (CID 174626284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).