4-methyl-2-[(2-methylpropan-2-yl)oxy]hexan-1-ol

C11H24O2 — CID 89382850

IUPAC4-methyl-2-[(2-methylpropan-2-yl)oxy]hexan-1-ol
SMILESCCC(C)CC(CO)OC(C)(C)C
InChIInChI=1S/C11H24O2/c1-6-9(2)7-10(8-12)13-11(3,4)5/h9-10,12H,6-8H2,1-5H3
InChIKeyNUGLWMLOFZJVJM-UHFFFAOYSA-N
MW188.31 g/mol
LogP2.60
Rot. Bonds5

About 4-methyl-2-[(2-methylpropan-2-yl)oxy]hexan-1-ol

4-methyl-2-[(2-methylpropan-2-yl)oxy]hexan-1-ol (PubChem CID 89382850) has the molecular formula C11H24O2 and a molecular weight of 188.31 g/mol. Its IUPAC name is 4-methyl-2-[(2-methylpropan-2-yl)oxy]hexan-1-ol.

Molecular Properties

Compound Name4-methyl-2-[(2-methylpropan-2-yl)oxy]hexan-1-ol
PubChem CID89382850
Molecular FormulaC11H24O2
Molecular Weight188.31 g/mol
Exact Mass188.18
IUPAC Name4-methyl-2-[(2-methylpropan-2-yl)oxy]hexan-1-ol
SMILESCCC(C)CC(CO)OC(C)(C)C
InChIInChI=1S/C11H24O2/c1-6-9(2)7-10(8-12)13-11(3,4)5/h9-10,12H,6-8H2,1-5H3
InChIKeyNUGLWMLOFZJVJM-UHFFFAOYSA-N
XLogP2.60
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(2-methylpropan-2-yl)oxy]hexan-1-ol?
The IUPAC name of 4-methyl-2-[(2-methylpropan-2-yl)oxy]hexan-1-ol (CID 89382850) is 4-methyl-2-[(2-methylpropan-2-yl)oxy]hexan-1-ol.
What is the SMILES notation for 4-methyl-2-[(2-methylpropan-2-yl)oxy]hexan-1-ol?
The canonical SMILES for 4-methyl-2-[(2-methylpropan-2-yl)oxy]hexan-1-ol is CCC(C)CC(CO)OC(C)(C)C.
What is the InChIKey of 4-methyl-2-[(2-methylpropan-2-yl)oxy]hexan-1-ol?
The InChIKey is NUGLWMLOFZJVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2/c1-6-9(2)7-10(8-12)13-11(3,4)5/h9-10,12H,6-8H2,1-5H3.
What are the key properties of 4-methyl-2-[(2-methylpropan-2-yl)oxy]hexan-1-ol?
4-methyl-2-[(2-methylpropan-2-yl)oxy]hexan-1-ol has a molecular weight of 188.31 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(2-methylpropan-2-yl)oxy]hexan-1-ol is sourced from PubChem (CID 89382850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).