2-methyl-4-[(2-methylpropan-2-yl)oxy]hexane

C11H24O — CID 91528197

IUPAC2-methyl-4-[(2-methylpropan-2-yl)oxy]hexane
SMILESCCC(CC(C)C)OC(C)(C)C
InChIInChI=1S/C11H24O/c1-7-10(8-9(2)3)12-11(4,5)6/h9-10H,7-8H2,1-6H3
InChIKeyOMDMAPOCSFYPTO-UHFFFAOYSA-N
MW172.31 g/mol
LogP3.63
Rot. Bonds4

About 2-methyl-4-[(2-methylpropan-2-yl)oxy]hexane

2-methyl-4-[(2-methylpropan-2-yl)oxy]hexane (PubChem CID 91528197) has the molecular formula C11H24O and a molecular weight of 172.31 g/mol. Its IUPAC name is 2-methyl-4-[(2-methylpropan-2-yl)oxy]hexane.

Molecular Properties

Compound Name2-methyl-4-[(2-methylpropan-2-yl)oxy]hexane
PubChem CID91528197
Molecular FormulaC11H24O
Molecular Weight172.31 g/mol
Exact Mass172.18
IUPAC Name2-methyl-4-[(2-methylpropan-2-yl)oxy]hexane
SMILESCCC(CC(C)C)OC(C)(C)C
InChIInChI=1S/C11H24O/c1-7-10(8-9(2)3)12-11(4,5)6/h9-10H,7-8H2,1-6H3
InChIKeyOMDMAPOCSFYPTO-UHFFFAOYSA-N
XLogP3.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.31
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

O-(5-methylhexan-3-yl)hydroxylamine
CID 174294741
3-[(2-methylpropan-2-yl)oxy]pentan-1-amine
CID 43368459
trimethyl-[2-[(2-methylpropan-2-yl)oxy]butyl]azanium
CID 147336259
3,5-dimethyl-2-[(2-methylpropan-2-yl)oxy]hexane
CID 91085775
3-methyl-1-[(2-methylpropan-2-yl)oxy]butan-1-ol
CID 87926743
CID 22216930
CID 22216930
1-butoxy-2-[(2-methylpropan-2-yl)oxy]butane
CID 142260461
4-(2,6-dimethylheptan-4-yloxy)-2,6-dimethylheptane
CID 18359494
ethyl-methyl-bis[(2-methylpropan-2-yl)oxy]phosphanium
CID 23418603
19-[(2-methylpropan-2-yl)oxy]heptatriacontane
CID 164814152
4-methyl-2,5-dimethylidene-4-[2-[(2-methylpropan-2-yl)oxy]butyl]-1,3-dioxolane
CID 134378901
[3-iodooxy-2-[(2-methylpropan-2-yl)oxy]propyl] hypoiodite
CID 87964568

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(2-methylpropan-2-yl)oxy]hexane?
The IUPAC name of 2-methyl-4-[(2-methylpropan-2-yl)oxy]hexane (CID 91528197) is 2-methyl-4-[(2-methylpropan-2-yl)oxy]hexane.
What is the SMILES notation for 2-methyl-4-[(2-methylpropan-2-yl)oxy]hexane?
The canonical SMILES for 2-methyl-4-[(2-methylpropan-2-yl)oxy]hexane is CCC(CC(C)C)OC(C)(C)C.
What is the InChIKey of 2-methyl-4-[(2-methylpropan-2-yl)oxy]hexane?
The InChIKey is OMDMAPOCSFYPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O/c1-7-10(8-9(2)3)12-11(4,5)6/h9-10H,7-8H2,1-6H3.
What are the key properties of 2-methyl-4-[(2-methylpropan-2-yl)oxy]hexane?
2-methyl-4-[(2-methylpropan-2-yl)oxy]hexane has a molecular weight of 172.31 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(2-methylpropan-2-yl)oxy]hexane is sourced from PubChem (CID 91528197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).