6-[2-(2-methylpropoxy)ethoxy]hexan-2-ol

C12H26O3 — CID 106448667

IUPAC6-[2-(2-methylpropoxy)ethoxy]hexan-2-ol
SMILESCC(C)COCCOCCCCC(C)O
InChIInChI=1S/C12H26O3/c1-11(2)10-15-9-8-14-7-5-4-6-12(3)13/h11-13H,4-10H2,1-3H3
InChIKeyWYGIQGBWQUGAMN-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.23
Rot. Bonds10

About 6-[2-(2-methylpropoxy)ethoxy]hexan-2-ol

6-[2-(2-methylpropoxy)ethoxy]hexan-2-ol (PubChem CID 106448667) has the molecular formula C12H26O3 and a molecular weight of 218.34 g/mol. Its IUPAC name is 6-[2-(2-methylpropoxy)ethoxy]hexan-2-ol.

Molecular Properties

Compound Name6-[2-(2-methylpropoxy)ethoxy]hexan-2-ol
PubChem CID106448667
Molecular FormulaC12H26O3
Molecular Weight218.34 g/mol
Exact Mass218.19
IUPAC Name6-[2-(2-methylpropoxy)ethoxy]hexan-2-ol
SMILESCC(C)COCCOCCCCC(C)O
InChIInChI=1S/C12H26O3/c1-11(2)10-15-9-8-14-7-5-4-6-12(3)13/h11-13H,4-10H2,1-3H3
InChIKeyWYGIQGBWQUGAMN-UHFFFAOYSA-N
XLogP2.23
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-methyl-1-[3-(2-methylpropoxy)propoxy]heptane
CID 171593627
7-methyl-1-(2-methylpropoxy)octane
CID 23222552
6-methyl-1-(2-methylpropoxy)heptane
CID 58371735
22-butoxydocosan-2-ol
CID 88608244
3-[2-(2-methylpropoxy)ethoxy]propan-1-ol
CID 106448655
5-(2-propoxyethoxy)pentan-2-ol
CID 63686964
2-methyl-1-[3-(2-methylpropoxy)propoxy]propane
CID 22020669
3-methyl-1-[3-(2-methylpropoxy)propoxy]butane
CID 171414218
6-[2-(2-methylpropoxy)ethoxy]hexane-1-thiol
CID 106451165
5-methyl-1-[2-(4-methylpentoxy)ethoxy]hexane
CID 157231841
3-methyl-1-[2-(2-methylpropoxy)ethoxy]butane
CID 90326526
6-methyl-1-[2-(6-methylheptoxy)ethoxy]heptane
CID 150695983

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-methylpropoxy)ethoxy]hexan-2-ol?
The IUPAC name of 6-[2-(2-methylpropoxy)ethoxy]hexan-2-ol (CID 106448667) is 6-[2-(2-methylpropoxy)ethoxy]hexan-2-ol.
What is the SMILES notation for 6-[2-(2-methylpropoxy)ethoxy]hexan-2-ol?
The canonical SMILES for 6-[2-(2-methylpropoxy)ethoxy]hexan-2-ol is CC(C)COCCOCCCCC(C)O.
What is the InChIKey of 6-[2-(2-methylpropoxy)ethoxy]hexan-2-ol?
The InChIKey is WYGIQGBWQUGAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O3/c1-11(2)10-15-9-8-14-7-5-4-6-12(3)13/h11-13H,4-10H2,1-3H3.
What are the key properties of 6-[2-(2-methylpropoxy)ethoxy]hexan-2-ol?
6-[2-(2-methylpropoxy)ethoxy]hexan-2-ol has a molecular weight of 218.34 g/mol, XLogP of 2.23, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-methylpropoxy)ethoxy]hexan-2-ol is sourced from PubChem (CID 106448667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).