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

C10H22O3 — CID 21124307

IUPAC1-[3-[(2-methylpropan-2-yl)oxy]propoxy]propan-1-ol
SMILESCCC(O)OCCCOC(C)(C)C
InChIInChI=1S/C10H22O3/c1-5-9(11)12-7-6-8-13-10(2,3)4/h9,11H,5-8H2,1-4H3
InChIKeyGXMGTIXILCJBIV-UHFFFAOYSA-N
MW190.28 g/mol
LogP1.94
Rot. Bonds6

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

1-[3-[(2-methylpropan-2-yl)oxy]propoxy]propan-1-ol (PubChem CID 21124307) has the molecular formula C10H22O3 and a molecular weight of 190.28 g/mol. Its IUPAC name is 1-[3-[(2-methylpropan-2-yl)oxy]propoxy]propan-1-ol.

Molecular Properties

Compound Name1-[3-[(2-methylpropan-2-yl)oxy]propoxy]propan-1-ol
PubChem CID21124307
Molecular FormulaC10H22O3
Molecular Weight190.28 g/mol
Exact Mass190.16
IUPAC Name1-[3-[(2-methylpropan-2-yl)oxy]propoxy]propan-1-ol
SMILESCCC(O)OCCCOC(C)(C)C
InChIInChI=1S/C10H22O3/c1-5-9(11)12-7-6-8-13-10(2,3)4/h9,11H,5-8H2,1-4H3
InChIKeyGXMGTIXILCJBIV-UHFFFAOYSA-N
XLogP1.94
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.28
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-[3-[(2-methylpropan-2-yl)oxy]propoxy]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-methylpropan-2-yl)oxy]propoxy]propan-1-ol?
The IUPAC name of 1-[3-[(2-methylpropan-2-yl)oxy]propoxy]propan-1-ol (CID 21124307) is 1-[3-[(2-methylpropan-2-yl)oxy]propoxy]propan-1-ol.
What is the SMILES notation for 1-[3-[(2-methylpropan-2-yl)oxy]propoxy]propan-1-ol?
The canonical SMILES for 1-[3-[(2-methylpropan-2-yl)oxy]propoxy]propan-1-ol is CCC(O)OCCCOC(C)(C)C.
What is the InChIKey of 1-[3-[(2-methylpropan-2-yl)oxy]propoxy]propan-1-ol?
The InChIKey is GXMGTIXILCJBIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O3/c1-5-9(11)12-7-6-8-13-10(2,3)4/h9,11H,5-8H2,1-4H3.
What are the key properties of 1-[3-[(2-methylpropan-2-yl)oxy]propoxy]propan-1-ol?
1-[3-[(2-methylpropan-2-yl)oxy]propoxy]propan-1-ol has a molecular weight of 190.28 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-methylpropan-2-yl)oxy]propoxy]propan-1-ol is sourced from PubChem (CID 21124307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).