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

C17H36O2 — CID 90290201

IUPAC2-methyl-2,5-bis(3-methylbutoxy)hexane
SMILESCC(C)CCOC(C)CCC(C)(C)OCCC(C)C
InChIInChI=1S/C17H36O2/c1-14(2)9-12-18-16(5)8-11-17(6,7)19-13-10-15(3)4/h14-16H,8-13H2,1-7H3
InChIKeyDQVOLPVVAHNZMO-UHFFFAOYSA-N
MW272.47 g/mol
LogP5.06
Rot. Bonds11

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

2-methyl-2,5-bis(3-methylbutoxy)hexane (PubChem CID 90290201) has the molecular formula C17H36O2 and a molecular weight of 272.47 g/mol. Its IUPAC name is 2-methyl-2,5-bis(3-methylbutoxy)hexane.

Molecular Properties

Compound Name2-methyl-2,5-bis(3-methylbutoxy)hexane
PubChem CID90290201
Molecular FormulaC17H36O2
Molecular Weight272.47 g/mol
Exact Mass272.27
IUPAC Name2-methyl-2,5-bis(3-methylbutoxy)hexane
SMILESCC(C)CCOC(C)CCC(C)(C)OCCC(C)C
InChIInChI=1S/C17H36O2/c1-14(2)9-12-18-16(5)8-11-17(6,7)19-13-10-15(3)4/h14-16H,8-13H2,1-7H3
InChIKeyDQVOLPVVAHNZMO-UHFFFAOYSA-N
XLogP5.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.47
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2,5-bis(3-methylbutoxy)hexane?
The IUPAC name of 2-methyl-2,5-bis(3-methylbutoxy)hexane (CID 90290201) is 2-methyl-2,5-bis(3-methylbutoxy)hexane.
What is the SMILES notation for 2-methyl-2,5-bis(3-methylbutoxy)hexane?
The canonical SMILES for 2-methyl-2,5-bis(3-methylbutoxy)hexane is CC(C)CCOC(C)CCC(C)(C)OCCC(C)C.
What is the InChIKey of 2-methyl-2,5-bis(3-methylbutoxy)hexane?
The InChIKey is DQVOLPVVAHNZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O2/c1-14(2)9-12-18-16(5)8-11-17(6,7)19-13-10-15(3)4/h14-16H,8-13H2,1-7H3.
What are the key properties of 2-methyl-2,5-bis(3-methylbutoxy)hexane?
2-methyl-2,5-bis(3-methylbutoxy)hexane has a molecular weight of 272.47 g/mol, XLogP of 5.06, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2,5-bis(3-methylbutoxy)hexane is sourced from PubChem (CID 90290201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).