sulfane;4-trimethoxysilylbut-2-enoic acid

C7H16O5SSi — CID 175419715

IUPACsulfane;4-trimethoxysilylbut-2-enoic acid
SMILESCO[Si](CC=CC(=O)O)(OC)OC.S
InChIInChI=1S/C7H14O5Si.H2S/c1-10-13(11-2,12-3)6-4-5-7(8)9;/h4-5H,6H2,1-3H3,(H,8,9);1H2
InChIKeyGLFNHEYVGQGGJV-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.62
Rot. Bonds6

About sulfane;4-trimethoxysilylbut-2-enoic acid

sulfane;4-trimethoxysilylbut-2-enoic acid (PubChem CID 175419715) has the molecular formula C7H16O5SSi and a molecular weight of 240.35 g/mol. Its IUPAC name is sulfane;4-trimethoxysilylbut-2-enoic acid.

Molecular Properties

Compound Namesulfane;4-trimethoxysilylbut-2-enoic acid
PubChem CID175419715
Molecular FormulaC7H16O5SSi
Molecular Weight240.35 g/mol
Exact Mass240.05
IUPAC Namesulfane;4-trimethoxysilylbut-2-enoic acid
SMILESCO[Si](CC=CC(=O)O)(OC)OC.S
InChIInChI=1S/C7H14O5Si.H2S/c1-10-13(11-2,12-3)6-4-5-7(8)9;/h4-5H,6H2,1-3H3,(H,8,9);1H2
InChIKeyGLFNHEYVGQGGJV-UHFFFAOYSA-N
XLogP0.62
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

trimethoxy(pent-2-enyl)silane
CID 141471181
hepta-2,5-dienedioic acid
CID 74058962
(E)-pent-2-enoic acid
CID 638122
(E)-hex-2-enoic acid
CID 5282707
pent-2-enoic acid;hydrochloride
CID 156883966
CID 158204021
CID 158204021
(E)-4-(4-methoxyphenyl)but-2-enoic acid
CID 67215752
4-(4-methoxyphenyl)but-2-enoic acid
CID 57252854
5-methoxypenta-2,4-dienoic acid
CID 54531073
(Z)-4-(methylamino)but-2-enoic acid
CID 148708866
4-hydroperoxybut-2-enoic acid
CID 54116733
docosakis(hex-2-enoic acid);phosphane
CID 174896095

Frequently Asked Questions

What is the IUPAC name of sulfane;4-trimethoxysilylbut-2-enoic acid?
The IUPAC name of sulfane;4-trimethoxysilylbut-2-enoic acid (CID 175419715) is sulfane;4-trimethoxysilylbut-2-enoic acid.
What is the SMILES notation for sulfane;4-trimethoxysilylbut-2-enoic acid?
The canonical SMILES for sulfane;4-trimethoxysilylbut-2-enoic acid is CO[Si](CC=CC(=O)O)(OC)OC.S.
What is the InChIKey of sulfane;4-trimethoxysilylbut-2-enoic acid?
The InChIKey is GLFNHEYVGQGGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O5Si.H2S/c1-10-13(11-2,12-3)6-4-5-7(8)9;/h4-5H,6H2,1-3H3,(H,8,9);1H2.
What are the key properties of sulfane;4-trimethoxysilylbut-2-enoic acid?
sulfane;4-trimethoxysilylbut-2-enoic acid has a molecular weight of 240.35 g/mol, XLogP of 0.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sulfane;4-trimethoxysilylbut-2-enoic acid is sourced from PubChem (CID 175419715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).