6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]hexan-3-ol

C12H26O3 — CID 106802730

IUPAC6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]hexan-3-ol
SMILESCCC(O)CCCOCCOC(C)(C)C
InChIInChI=1S/C12H26O3/c1-5-11(13)7-6-8-14-9-10-15-12(2,3)4/h11,13H,5-10H2,1-4H3
InChIKeyTWRXUIWVYWXSCR-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.37
Rot. Bonds8

About 6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]hexan-3-ol

6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]hexan-3-ol (PubChem CID 106802730) has the molecular formula C12H26O3 and a molecular weight of 218.34 g/mol. Its IUPAC name is 6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]hexan-3-ol.

Molecular Properties

Compound Name6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]hexan-3-ol
PubChem CID106802730
Molecular FormulaC12H26O3
Molecular Weight218.34 g/mol
Exact Mass218.19
IUPAC Name6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]hexan-3-ol
SMILESCCC(O)CCCOCCOC(C)(C)C
InChIInChI=1S/C12H26O3/c1-5-11(13)7-6-8-14-9-10-15-12(2,3)4/h11,13H,5-10H2,1-4H3
InChIKeyTWRXUIWVYWXSCR-UHFFFAOYSA-N
XLogP2.37
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.37
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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Frequently Asked Questions

What is the IUPAC name of 6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]hexan-3-ol?
The IUPAC name of 6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]hexan-3-ol (CID 106802730) is 6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]hexan-3-ol.
What is the SMILES notation for 6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]hexan-3-ol?
The canonical SMILES for 6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]hexan-3-ol is CCC(O)CCCOCCOC(C)(C)C.
What is the InChIKey of 6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]hexan-3-ol?
The InChIKey is TWRXUIWVYWXSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O3/c1-5-11(13)7-6-8-14-9-10-15-12(2,3)4/h11,13H,5-10H2,1-4H3.
What are the key properties of 6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]hexan-3-ol?
6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]hexan-3-ol has a molecular weight of 218.34 g/mol, XLogP of 2.37, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]hexan-3-ol is sourced from PubChem (CID 106802730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).