2,5-dimethyl-2,5-bis(3-methylbutoxy)hexane

C18H38O2 — CID 118516753

IUPAC2,5-dimethyl-2,5-bis(3-methylbutoxy)hexane
SMILESCC(C)CCOC(C)(C)CCC(C)(C)OCCC(C)C
InChIInChI=1S/C18H38O2/c1-15(2)9-13-19-17(5,6)11-12-18(7,8)20-14-10-16(3)4/h15-16H,9-14H2,1-8H3
InChIKeyWAYGJZPVAHBZQS-UHFFFAOYSA-N
MW286.50 g/mol
LogP5.45
Rot. Bonds11

About 2,5-dimethyl-2,5-bis(3-methylbutoxy)hexane

2,5-dimethyl-2,5-bis(3-methylbutoxy)hexane (PubChem CID 118516753) has the molecular formula C18H38O2 and a molecular weight of 286.50 g/mol. Its IUPAC name is 2,5-dimethyl-2,5-bis(3-methylbutoxy)hexane.

Molecular Properties

Compound Name2,5-dimethyl-2,5-bis(3-methylbutoxy)hexane
PubChem CID118516753
Molecular FormulaC18H38O2
Molecular Weight286.50 g/mol
Exact Mass286.29
IUPAC Name2,5-dimethyl-2,5-bis(3-methylbutoxy)hexane
SMILESCC(C)CCOC(C)(C)CCC(C)(C)OCCC(C)C
InChIInChI=1S/C18H38O2/c1-15(2)9-13-19-17(5,6)11-12-18(7,8)20-14-10-16(3)4/h15-16H,9-14H2,1-8H3
InChIKeyWAYGJZPVAHBZQS-UHFFFAOYSA-N
XLogP5.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.50
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-2,5-bis(3-methylbutoxy)hexane?
The IUPAC name of 2,5-dimethyl-2,5-bis(3-methylbutoxy)hexane (CID 118516753) is 2,5-dimethyl-2,5-bis(3-methylbutoxy)hexane.
What is the SMILES notation for 2,5-dimethyl-2,5-bis(3-methylbutoxy)hexane?
The canonical SMILES for 2,5-dimethyl-2,5-bis(3-methylbutoxy)hexane is CC(C)CCOC(C)(C)CCC(C)(C)OCCC(C)C.
What is the InChIKey of 2,5-dimethyl-2,5-bis(3-methylbutoxy)hexane?
The InChIKey is WAYGJZPVAHBZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O2/c1-15(2)9-13-19-17(5,6)11-12-18(7,8)20-14-10-16(3)4/h15-16H,9-14H2,1-8H3.
What are the key properties of 2,5-dimethyl-2,5-bis(3-methylbutoxy)hexane?
2,5-dimethyl-2,5-bis(3-methylbutoxy)hexane has a molecular weight of 286.50 g/mol, XLogP of 5.45, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-2,5-bis(3-methylbutoxy)hexane is sourced from PubChem (CID 118516753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).