1-(1-hydroxypropan-2-yloxy)-4-(oxiran-2-yl)butan-2-ol

C9H18O4 — CID 175123172

IUPAC1-(1-hydroxypropan-2-yloxy)-4-(oxiran-2-yl)butan-2-ol
SMILESCC(CO)OCC(O)CCC1CO1
InChIInChI=1S/C9H18O4/c1-7(4-10)12-5-8(11)2-3-9-6-13-9/h7-11H,2-6H2,1H3
InChIKeySAMLYRZMRBANRM-UHFFFAOYSA-N
MW190.24 g/mol
LogP-0.08
Rot. Bonds7

About 1-(1-hydroxypropan-2-yloxy)-4-(oxiran-2-yl)butan-2-ol

1-(1-hydroxypropan-2-yloxy)-4-(oxiran-2-yl)butan-2-ol (PubChem CID 175123172) has the molecular formula C9H18O4 and a molecular weight of 190.24 g/mol. Its IUPAC name is 1-(1-hydroxypropan-2-yloxy)-4-(oxiran-2-yl)butan-2-ol.

Molecular Properties

Compound Name1-(1-hydroxypropan-2-yloxy)-4-(oxiran-2-yl)butan-2-ol
PubChem CID175123172
Molecular FormulaC9H18O4
Molecular Weight190.24 g/mol
Exact Mass190.12
IUPAC Name1-(1-hydroxypropan-2-yloxy)-4-(oxiran-2-yl)butan-2-ol
SMILESCC(CO)OCC(O)CCC1CO1
InChIInChI=1S/C9H18O4/c1-7(4-10)12-5-8(11)2-3-9-6-13-9/h7-11H,2-6H2,1H3
InChIKeySAMLYRZMRBANRM-UHFFFAOYSA-N
XLogP-0.08
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

1,5-bis(oxiran-2-yl)pentan-3-ol
CID 20657102
1-(1-hydroxypropan-2-yloxy)decan-2-ol
CID 160879010
1,4-dioxane;2-(2-hydroxypropoxy)propan-1-ol
CID 160854185
3-methyl-1-[2-(oxiran-2-yl)ethoxy]butan-2-ol
CID 157311653
5-(2-ethoxyethoxy)-1-(1-hydroxypropan-2-yloxy)pentan-2-ol
CID 175055675
2-(2-hydroxypropoxy)propan-1-ol;2-methoxypropane
CID 87458381
2-[(2S)-2-(2-hydroxypropoxy)propoxy]propan-1-ol
CID 57250995
(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[(2R)-2-hydroxypropoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 135398128
(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[(2R)-2-hydroxypropoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 52944184
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 129258007
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 22051694
1,7-bis(oxiran-2-yl)heptan-4-ol;methane
CID 160991643

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxypropan-2-yloxy)-4-(oxiran-2-yl)butan-2-ol?
The IUPAC name of 1-(1-hydroxypropan-2-yloxy)-4-(oxiran-2-yl)butan-2-ol (CID 175123172) is 1-(1-hydroxypropan-2-yloxy)-4-(oxiran-2-yl)butan-2-ol.
What is the SMILES notation for 1-(1-hydroxypropan-2-yloxy)-4-(oxiran-2-yl)butan-2-ol?
The canonical SMILES for 1-(1-hydroxypropan-2-yloxy)-4-(oxiran-2-yl)butan-2-ol is CC(CO)OCC(O)CCC1CO1.
What is the InChIKey of 1-(1-hydroxypropan-2-yloxy)-4-(oxiran-2-yl)butan-2-ol?
The InChIKey is SAMLYRZMRBANRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O4/c1-7(4-10)12-5-8(11)2-3-9-6-13-9/h7-11H,2-6H2,1H3.
What are the key properties of 1-(1-hydroxypropan-2-yloxy)-4-(oxiran-2-yl)butan-2-ol?
1-(1-hydroxypropan-2-yloxy)-4-(oxiran-2-yl)butan-2-ol has a molecular weight of 190.24 g/mol, XLogP of -0.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxypropan-2-yloxy)-4-(oxiran-2-yl)butan-2-ol is sourced from PubChem (CID 175123172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).