1-(3-hydroxypropoxy)-2-(oxiran-2-ylmethoxymethyl)butan-2-ol

C11H22O5 — CID 118426500

IUPAC1-(3-hydroxypropoxy)-2-(oxiran-2-ylmethoxymethyl)butan-2-ol
SMILESCCC(O)(COCCCO)COCC1CO1
InChIInChI=1S/C11H22O5/c1-2-11(13,8-14-5-3-4-12)9-15-6-10-7-16-10/h10,12-13H,2-9H2,1H3
InChIKeySLHSTJFDFZYGEQ-UHFFFAOYSA-N
MW234.29 g/mol
LogP-0.06
Rot. Bonds10

About 1-(3-hydroxypropoxy)-2-(oxiran-2-ylmethoxymethyl)butan-2-ol

1-(3-hydroxypropoxy)-2-(oxiran-2-ylmethoxymethyl)butan-2-ol (PubChem CID 118426500) has the molecular formula C11H22O5 and a molecular weight of 234.29 g/mol. Its IUPAC name is 1-(3-hydroxypropoxy)-2-(oxiran-2-ylmethoxymethyl)butan-2-ol.

Molecular Properties

Compound Name1-(3-hydroxypropoxy)-2-(oxiran-2-ylmethoxymethyl)butan-2-ol
PubChem CID118426500
Molecular FormulaC11H22O5
Molecular Weight234.29 g/mol
Exact Mass234.15
IUPAC Name1-(3-hydroxypropoxy)-2-(oxiran-2-ylmethoxymethyl)butan-2-ol
SMILESCCC(O)(COCCCO)COCC1CO1
InChIInChI=1S/C11H22O5/c1-2-11(13,8-14-5-3-4-12)9-15-6-10-7-16-10/h10,12-13H,2-9H2,1H3
InChIKeySLHSTJFDFZYGEQ-UHFFFAOYSA-N
XLogP-0.06
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[2,2-dimethyl-3-(oxiran-2-ylmethoxy)propoxy]propan-1-ol
CID 118319216
10-(oxiran-2-ylmethoxy)decan-1-ol
CID 141116749
ethanol;2-(2-hydroxyethoxy)ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 135339306
hexane-1,6-diol;bis(2-(oxiran-2-ylmethoxymethyl)oxirane)
CID 174983499
2-(oxiran-2-ylmethoxymethyl)oxirane;propan-1-ol
CID 22222974
hexane;hexane-1,6-diol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 174849924
2-[4-[4-[4-[4-[4-[4-[4-[4-[4-(oxiran-2-ylmethoxy)butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxymethyl]oxirane
CID 130476685
ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 87071861
2-[4-[4-[4-(oxiran-2-ylmethoxy)butoxy]butoxy]butoxymethyl]oxirane
CID 130476668
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 154070356
2-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxymethyl]oxirane
CID 91036446
2-ethyl-2-(hydroxymethyl)propane-1,3-diol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 57370814

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypropoxy)-2-(oxiran-2-ylmethoxymethyl)butan-2-ol?
The IUPAC name of 1-(3-hydroxypropoxy)-2-(oxiran-2-ylmethoxymethyl)butan-2-ol (CID 118426500) is 1-(3-hydroxypropoxy)-2-(oxiran-2-ylmethoxymethyl)butan-2-ol.
What is the SMILES notation for 1-(3-hydroxypropoxy)-2-(oxiran-2-ylmethoxymethyl)butan-2-ol?
The canonical SMILES for 1-(3-hydroxypropoxy)-2-(oxiran-2-ylmethoxymethyl)butan-2-ol is CCC(O)(COCCCO)COCC1CO1.
What is the InChIKey of 1-(3-hydroxypropoxy)-2-(oxiran-2-ylmethoxymethyl)butan-2-ol?
The InChIKey is SLHSTJFDFZYGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O5/c1-2-11(13,8-14-5-3-4-12)9-15-6-10-7-16-10/h10,12-13H,2-9H2,1H3.
What are the key properties of 1-(3-hydroxypropoxy)-2-(oxiran-2-ylmethoxymethyl)butan-2-ol?
1-(3-hydroxypropoxy)-2-(oxiran-2-ylmethoxymethyl)butan-2-ol has a molecular weight of 234.29 g/mol, XLogP of -0.06, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypropoxy)-2-(oxiran-2-ylmethoxymethyl)butan-2-ol is sourced from PubChem (CID 118426500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).