methyl 3-[hydroxy(dimethoxy)silyl]propanoate

C6H14O5Si — CID 149099200

IUPACmethyl 3-[hydroxy(dimethoxy)silyl]propanoate
SMILESCOC(=O)CC[Si](O)(OC)OC
InChIInChI=1S/C6H14O5Si/c1-9-6(7)4-5-12(8,10-2)11-3/h8H,4-5H2,1-3H3
InChIKeyQUHMISFELUIWQZ-UHFFFAOYSA-N
MW194.26 g/mol
LogP-0.23
Rot. Bonds5

About methyl 3-[hydroxy(dimethoxy)silyl]propanoate

methyl 3-[hydroxy(dimethoxy)silyl]propanoate (PubChem CID 149099200) has the molecular formula C6H14O5Si and a molecular weight of 194.26 g/mol. Its IUPAC name is methyl 3-[hydroxy(dimethoxy)silyl]propanoate.

Molecular Properties

Compound Namemethyl 3-[hydroxy(dimethoxy)silyl]propanoate
PubChem CID149099200
Molecular FormulaC6H14O5Si
Molecular Weight194.26 g/mol
Exact Mass194.06
IUPAC Namemethyl 3-[hydroxy(dimethoxy)silyl]propanoate
SMILESCOC(=O)CC[Si](O)(OC)OC
InChIInChI=1S/C6H14O5Si/c1-9-6(7)4-5-12(8,10-2)11-3/h8H,4-5H2,1-3H3
InChIKeyQUHMISFELUIWQZ-UHFFFAOYSA-N
XLogP-0.23
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

bis(dimethyl decanedioate);dimethyl hexanedioate
CID 90703426
dimethyl pentanedioate;hydrochloride
CID 175168861
dimethyl dotriacontanedioate
CID 14325565
dimethyl hexanedioate;λ2-stannane
CID 173290075
dimethyl tricosanedioate
CID 12632762
dimethyl hexanedioate;stannane
CID 173290076
(3-methoxy-3-oxopropyl)carbamodithioic acid
CID 24972884
methyl butanoate;tetrahydrochloride
CID 173289582
dimethyl hexanedioate;molecular hydrogen
CID 173272620
methane;methyl 3-hydroxypropanoate
CID 165023436
chromium;methyl butanoate
CID 174781983
CID 59259624
CID 59259624

Frequently Asked Questions

What is the IUPAC name of methyl 3-[hydroxy(dimethoxy)silyl]propanoate?
The IUPAC name of methyl 3-[hydroxy(dimethoxy)silyl]propanoate (CID 149099200) is methyl 3-[hydroxy(dimethoxy)silyl]propanoate.
What is the SMILES notation for methyl 3-[hydroxy(dimethoxy)silyl]propanoate?
The canonical SMILES for methyl 3-[hydroxy(dimethoxy)silyl]propanoate is COC(=O)CC[Si](O)(OC)OC.
What is the InChIKey of methyl 3-[hydroxy(dimethoxy)silyl]propanoate?
The InChIKey is QUHMISFELUIWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O5Si/c1-9-6(7)4-5-12(8,10-2)11-3/h8H,4-5H2,1-3H3.
What are the key properties of methyl 3-[hydroxy(dimethoxy)silyl]propanoate?
methyl 3-[hydroxy(dimethoxy)silyl]propanoate has a molecular weight of 194.26 g/mol, XLogP of -0.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[hydroxy(dimethoxy)silyl]propanoate is sourced from PubChem (CID 149099200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).