3,5-dimethyl-2-[(2-methylpropan-2-yl)oxy]hexane

C12H26O — CID 91085775

IUPAC3,5-dimethyl-2-[(2-methylpropan-2-yl)oxy]hexane
SMILESCC(C)CC(C)C(C)OC(C)(C)C
InChIInChI=1S/C12H26O/c1-9(2)8-10(3)11(4)13-12(5,6)7/h9-11H,8H2,1-7H3
InChIKeyUHLDGFXAXOHYSP-UHFFFAOYSA-N
MW186.34 g/mol
LogP3.87
Rot. Bonds4

About 3,5-dimethyl-2-[(2-methylpropan-2-yl)oxy]hexane

3,5-dimethyl-2-[(2-methylpropan-2-yl)oxy]hexane (PubChem CID 91085775) has the molecular formula C12H26O and a molecular weight of 186.34 g/mol. Its IUPAC name is 3,5-dimethyl-2-[(2-methylpropan-2-yl)oxy]hexane.

Molecular Properties

Compound Name3,5-dimethyl-2-[(2-methylpropan-2-yl)oxy]hexane
PubChem CID91085775
Molecular FormulaC12H26O
Molecular Weight186.34 g/mol
Exact Mass186.20
IUPAC Name3,5-dimethyl-2-[(2-methylpropan-2-yl)oxy]hexane
SMILESCC(C)CC(C)C(C)OC(C)(C)C
InChIInChI=1S/C12H26O/c1-9(2)8-10(3)11(4)13-12(5,6)7/h9-11H,8H2,1-7H3
InChIKeyUHLDGFXAXOHYSP-UHFFFAOYSA-N
XLogP3.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-1-[(2-methylpropan-2-yl)oxy]butan-1-ol
CID 87926743
6-(3,5-dimethylhexan-2-yloxy)-6-methylheptan-3-one
CID 11265341
2-methyl-4-[(2-methylpropan-2-yl)oxy]hexane
CID 91528197
2,2,4,6-tetramethylheptan-3-ol
CID 89214446
hydroxy-[3-[(2-methylpropan-2-yl)oxy]butan-2-yl]-oxophosphanium
CID 139581788
2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]pentan-3-amine
CID 134406960
alumane;2,4,5-trimethylheptane
CID 174508217
ethane;2,4,5-trimethylheptane
CID 142268679
4-methyl-2,5-bis[(2-methylpropan-2-yl)oxy]hexan-3-one
CID 123694757
3-methoxy-4,6-dimethylheptan-2-one
CID 87291252
(2R)-2,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pentane
CID 174384089
(2S,3R)-2-ethyl-3-[(2-methylpropan-2-yl)oxy]butanoic acid
CID 143229027

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-[(2-methylpropan-2-yl)oxy]hexane?
The IUPAC name of 3,5-dimethyl-2-[(2-methylpropan-2-yl)oxy]hexane (CID 91085775) is 3,5-dimethyl-2-[(2-methylpropan-2-yl)oxy]hexane.
What is the SMILES notation for 3,5-dimethyl-2-[(2-methylpropan-2-yl)oxy]hexane?
The canonical SMILES for 3,5-dimethyl-2-[(2-methylpropan-2-yl)oxy]hexane is CC(C)CC(C)C(C)OC(C)(C)C.
What is the InChIKey of 3,5-dimethyl-2-[(2-methylpropan-2-yl)oxy]hexane?
The InChIKey is UHLDGFXAXOHYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O/c1-9(2)8-10(3)11(4)13-12(5,6)7/h9-11H,8H2,1-7H3.
What are the key properties of 3,5-dimethyl-2-[(2-methylpropan-2-yl)oxy]hexane?
3,5-dimethyl-2-[(2-methylpropan-2-yl)oxy]hexane has a molecular weight of 186.34 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-[(2-methylpropan-2-yl)oxy]hexane is sourced from PubChem (CID 91085775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).