[3-[diethoxy(propoxy)silyl]oxiran-2-yl]methanol

C10H22O5Si — CID 174670573

IUPAC[3-[diethoxy(propoxy)silyl]oxiran-2-yl]methanol
SMILESCCCO[Si](OCC)(OCC)C1OC1CO
InChIInChI=1S/C10H22O5Si/c1-4-7-14-16(12-5-2,13-6-3)10-9(8-11)15-10/h9-11H,4-8H2,1-3H3
InChIKeySMRPCVOZSZPFKJ-UHFFFAOYSA-N
MW250.37 g/mol
LogP0.72
Rot. Bonds9

About [3-[diethoxy(propoxy)silyl]oxiran-2-yl]methanol

[3-[diethoxy(propoxy)silyl]oxiran-2-yl]methanol (PubChem CID 174670573) has the molecular formula C10H22O5Si and a molecular weight of 250.37 g/mol. Its IUPAC name is [3-[diethoxy(propoxy)silyl]oxiran-2-yl]methanol.

Molecular Properties

Compound Name[3-[diethoxy(propoxy)silyl]oxiran-2-yl]methanol
PubChem CID174670573
Molecular FormulaC10H22O5Si
Molecular Weight250.37 g/mol
Exact Mass250.12
IUPAC Name[3-[diethoxy(propoxy)silyl]oxiran-2-yl]methanol
SMILESCCCO[Si](OCC)(OCC)C1OC1CO
InChIInChI=1S/C10H22O5Si/c1-4-7-14-16(12-5-2,13-6-3)10-9(8-11)15-10/h9-11H,4-8H2,1-3H3
InChIKeySMRPCVOZSZPFKJ-UHFFFAOYSA-N
XLogP0.72
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl(tripropoxy)silane;hydrate
CID 172826593
ethoxy-dihydroxy-propoxysilane
CID 154100786
ethoxy-diiodo-propoxysilane
CID 140744932
ethane-1,2-diamine;triethoxy(methyl)silane
CID 158658037
(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-2-methyl-5-propoxyoxane-3,4-diol
CID 139318361
ethyl (2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxane-2-carboxylate
CID 59036373
(2R,3R,4S,5S,6S)-2-(hydroxymethyl)-6-propoxyoxane-3,4,5-triol
CID 67412488
(3-ethoxysilyloxiran-2-yl)methanol
CID 174908758
(3-butyloxiran-2-yl)-trimethoxysilane
CID 57184930
dipropyl oxirane-2,3-dicarboxylate
CID 58624990
triethoxy-[(3-methyloxiran-2-yl)-propoxymethyl]silane
CID 174440461
ethyl 2-[(3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propanoate
CID 134517608

Frequently Asked Questions

What is the IUPAC name of [3-[diethoxy(propoxy)silyl]oxiran-2-yl]methanol?
The IUPAC name of [3-[diethoxy(propoxy)silyl]oxiran-2-yl]methanol (CID 174670573) is [3-[diethoxy(propoxy)silyl]oxiran-2-yl]methanol.
What is the SMILES notation for [3-[diethoxy(propoxy)silyl]oxiran-2-yl]methanol?
The canonical SMILES for [3-[diethoxy(propoxy)silyl]oxiran-2-yl]methanol is CCCO[Si](OCC)(OCC)C1OC1CO.
What is the InChIKey of [3-[diethoxy(propoxy)silyl]oxiran-2-yl]methanol?
The InChIKey is SMRPCVOZSZPFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O5Si/c1-4-7-14-16(12-5-2,13-6-3)10-9(8-11)15-10/h9-11H,4-8H2,1-3H3.
What are the key properties of [3-[diethoxy(propoxy)silyl]oxiran-2-yl]methanol?
[3-[diethoxy(propoxy)silyl]oxiran-2-yl]methanol has a molecular weight of 250.37 g/mol, XLogP of 0.72, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[diethoxy(propoxy)silyl]oxiran-2-yl]methanol is sourced from PubChem (CID 174670573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).