3-[(2-methylpropan-2-yl)oxy]propan-1-ol

C7H16O2 — CID 5056739

IUPAC3-[(2-methylpropan-2-yl)oxy]propan-1-ol
SMILESCC(C)(C)OCCCO
InChIInChI=1S/C7H16O2/c1-7(2,3)9-6-4-5-8/h8H,4-6H2,1-3H3
InChIKeyGHTWMSKPKHLXPE-UHFFFAOYSA-N
MW132.20 g/mol
LogP1.18
Rot. Bonds3

About 3-[(2-methylpropan-2-yl)oxy]propan-1-ol

3-[(2-methylpropan-2-yl)oxy]propan-1-ol (PubChem CID 5056739) has the molecular formula C7H16O2 and a molecular weight of 132.20 g/mol. Its IUPAC name is 3-[(2-methylpropan-2-yl)oxy]propan-1-ol.

Molecular Properties

Compound Name3-[(2-methylpropan-2-yl)oxy]propan-1-ol
PubChem CID5056739
Molecular FormulaC7H16O2
Molecular Weight132.20 g/mol
Exact Mass132.12
IUPAC Name3-[(2-methylpropan-2-yl)oxy]propan-1-ol
SMILESCC(C)(C)OCCCO
InChIInChI=1S/C7H16O2/c1-7(2,3)9-6-4-5-8/h8H,4-6H2,1-3H3
InChIKeyGHTWMSKPKHLXPE-UHFFFAOYSA-N
XLogP1.18
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.20
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 3-[(2-methylpropan-2-yl)oxy]propan-1-ol?
The IUPAC name of 3-[(2-methylpropan-2-yl)oxy]propan-1-ol (CID 5056739) is 3-[(2-methylpropan-2-yl)oxy]propan-1-ol.
What is the SMILES notation for 3-[(2-methylpropan-2-yl)oxy]propan-1-ol?
The canonical SMILES for 3-[(2-methylpropan-2-yl)oxy]propan-1-ol is CC(C)(C)OCCCO.
What is the InChIKey of 3-[(2-methylpropan-2-yl)oxy]propan-1-ol?
The InChIKey is GHTWMSKPKHLXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O2/c1-7(2,3)9-6-4-5-8/h8H,4-6H2,1-3H3.
What are the key properties of 3-[(2-methylpropan-2-yl)oxy]propan-1-ol?
3-[(2-methylpropan-2-yl)oxy]propan-1-ol has a molecular weight of 132.20 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylpropan-2-yl)oxy]propan-1-ol is sourced from PubChem (CID 5056739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).