4-[[3-hydroxy-4-(oxiran-2-yl)butyl]-dimethoxysilyl]-1-(oxiran-2-yl)butan-2-ol

C14H28O6Si — CID 57038917

IUPAC4-[[3-hydroxy-4-(oxiran-2-yl)butyl]-dimethoxysilyl]-1-(oxiran-2-yl)butan-2-ol
SMILESCO[Si](CCC(O)CC1CO1)(CCC(O)CC1CO1)OC
InChIInChI=1S/C14H28O6Si/c1-17-21(18-2,5-3-11(15)7-13-9-19-13)6-4-12(16)8-14-10-20-14/h11-16H,3-10H2,1-2H3
InChIKeyDTEAKIPJCQOUQV-UHFFFAOYSA-N
MW320.46 g/mol
LogP0.80
Rot. Bonds12

About 4-[[3-hydroxy-4-(oxiran-2-yl)butyl]-dimethoxysilyl]-1-(oxiran-2-yl)butan-2-ol

4-[[3-hydroxy-4-(oxiran-2-yl)butyl]-dimethoxysilyl]-1-(oxiran-2-yl)butan-2-ol (PubChem CID 57038917) has the molecular formula C14H28O6Si and a molecular weight of 320.46 g/mol. Its IUPAC name is 4-[[3-hydroxy-4-(oxiran-2-yl)butyl]-dimethoxysilyl]-1-(oxiran-2-yl)butan-2-ol.

Molecular Properties

Compound Name4-[[3-hydroxy-4-(oxiran-2-yl)butyl]-dimethoxysilyl]-1-(oxiran-2-yl)butan-2-ol
PubChem CID57038917
Molecular FormulaC14H28O6Si
Molecular Weight320.46 g/mol
Exact Mass320.17
IUPAC Name4-[[3-hydroxy-4-(oxiran-2-yl)butyl]-dimethoxysilyl]-1-(oxiran-2-yl)butan-2-ol
SMILESCO[Si](CCC(O)CC1CO1)(CCC(O)CC1CO1)OC
InChIInChI=1S/C14H28O6Si/c1-17-21(18-2,5-3-11(15)7-13-9-19-13)6-4-12(16)8-14-10-20-14/h11-16H,3-10H2,1-2H3
InChIKeyDTEAKIPJCQOUQV-UHFFFAOYSA-N
XLogP0.80
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-hydroxy-4-(oxiran-2-yl)butyl]-dimethoxysilyl]-1-(oxiran-2-yl)butan-2-ol?
The IUPAC name of 4-[[3-hydroxy-4-(oxiran-2-yl)butyl]-dimethoxysilyl]-1-(oxiran-2-yl)butan-2-ol (CID 57038917) is 4-[[3-hydroxy-4-(oxiran-2-yl)butyl]-dimethoxysilyl]-1-(oxiran-2-yl)butan-2-ol.
What is the SMILES notation for 4-[[3-hydroxy-4-(oxiran-2-yl)butyl]-dimethoxysilyl]-1-(oxiran-2-yl)butan-2-ol?
The canonical SMILES for 4-[[3-hydroxy-4-(oxiran-2-yl)butyl]-dimethoxysilyl]-1-(oxiran-2-yl)butan-2-ol is CO[Si](CCC(O)CC1CO1)(CCC(O)CC1CO1)OC.
What is the InChIKey of 4-[[3-hydroxy-4-(oxiran-2-yl)butyl]-dimethoxysilyl]-1-(oxiran-2-yl)butan-2-ol?
The InChIKey is DTEAKIPJCQOUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O6Si/c1-17-21(18-2,5-3-11(15)7-13-9-19-13)6-4-12(16)8-14-10-20-14/h11-16H,3-10H2,1-2H3.
What are the key properties of 4-[[3-hydroxy-4-(oxiran-2-yl)butyl]-dimethoxysilyl]-1-(oxiran-2-yl)butan-2-ol?
4-[[3-hydroxy-4-(oxiran-2-yl)butyl]-dimethoxysilyl]-1-(oxiran-2-yl)butan-2-ol has a molecular weight of 320.46 g/mol, XLogP of 0.80, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-hydroxy-4-(oxiran-2-yl)butyl]-dimethoxysilyl]-1-(oxiran-2-yl)butan-2-ol is sourced from PubChem (CID 57038917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).