(2-dimethylsilyloxy-2-methyl-1-sulfanylpropyl) 2-methylprop-2-enoate

C10H20O3SSi — CID 123960307

IUPAC(2-dimethylsilyloxy-2-methyl-1-sulfanylpropyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(S)C(C)(C)O[SiH](C)C
InChIInChI=1S/C10H20O3SSi/c1-7(2)8(11)12-9(14)10(3,4)13-15(5)6/h9,14-15H,1H2,2-6H3
InChIKeyGDAVXAWXRQYAQX-UHFFFAOYSA-N
MW248.42 g/mol
LogP2.14
Rot. Bonds5

About (2-dimethylsilyloxy-2-methyl-1-sulfanylpropyl) 2-methylprop-2-enoate

(2-dimethylsilyloxy-2-methyl-1-sulfanylpropyl) 2-methylprop-2-enoate (PubChem CID 123960307) has the molecular formula C10H20O3SSi and a molecular weight of 248.42 g/mol. Its IUPAC name is (2-dimethylsilyloxy-2-methyl-1-sulfanylpropyl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(2-dimethylsilyloxy-2-methyl-1-sulfanylpropyl) 2-methylprop-2-enoate
PubChem CID123960307
Molecular FormulaC10H20O3SSi
Molecular Weight248.42 g/mol
Exact Mass248.09
IUPAC Name(2-dimethylsilyloxy-2-methyl-1-sulfanylpropyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(S)C(C)(C)O[SiH](C)C
InChIInChI=1S/C10H20O3SSi/c1-7(2)8(11)12-9(14)10(3,4)13-15(5)6/h9,14-15H,1H2,2-6H3
InChIKeyGDAVXAWXRQYAQX-UHFFFAOYSA-N
XLogP2.14
TPSA35.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.42
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

propan-2-yl 2-methylprop-2-enoate
CID 146421311
(3-acetyloxy-2-methylbutan-2-yl) 2-methylprop-2-enoate
CID 21403547
[(2R,3R)-3-(2-methylprop-2-enoyloxy)butan-2-yl] 2-methylprop-2-enoate
CID 91001649
1-[(2-methylpropan-2-yl)oxy]ethyl 2-methylprop-2-enoate
CID 22051873
diaminomethyl 2-methylprop-2-enoate
CID 18522879
2,2-bis(2-methylprop-2-enoyloxy)acetic acid
CID 56621773
azane;(3-chloro-3-methylbutan-2-yl) 2-methylprop-2-enoate
CID 87146988
1-sulfanyltetradecyl 2-methylprop-2-enoate
CID 175209122
(2,2,3,3-tetrafluoro-1-hydroxybutyl) 2-methylprop-2-enoate
CID 21187236
1-(2-methylprop-2-enoyloxy)prop-2-ene-1-sulfonic acid
CID 87647233
[1-[3,3-dimethyl-2-(2-methylprop-2-enoyloxy)butyl]peroxy-3,3-dimethylbutan-2-yl] 2-methylprop-2-enoate
CID 88658910
benzene;propan-2-yl 2-methylprop-2-enoate
CID 174524984

Frequently Asked Questions

What is the IUPAC name of (2-dimethylsilyloxy-2-methyl-1-sulfanylpropyl) 2-methylprop-2-enoate?
The IUPAC name of (2-dimethylsilyloxy-2-methyl-1-sulfanylpropyl) 2-methylprop-2-enoate (CID 123960307) is (2-dimethylsilyloxy-2-methyl-1-sulfanylpropyl) 2-methylprop-2-enoate.
What is the SMILES notation for (2-dimethylsilyloxy-2-methyl-1-sulfanylpropyl) 2-methylprop-2-enoate?
The canonical SMILES for (2-dimethylsilyloxy-2-methyl-1-sulfanylpropyl) 2-methylprop-2-enoate is C=C(C)C(=O)OC(S)C(C)(C)O[SiH](C)C.
What is the InChIKey of (2-dimethylsilyloxy-2-methyl-1-sulfanylpropyl) 2-methylprop-2-enoate?
The InChIKey is GDAVXAWXRQYAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3SSi/c1-7(2)8(11)12-9(14)10(3,4)13-15(5)6/h9,14-15H,1H2,2-6H3.
What are the key properties of (2-dimethylsilyloxy-2-methyl-1-sulfanylpropyl) 2-methylprop-2-enoate?
(2-dimethylsilyloxy-2-methyl-1-sulfanylpropyl) 2-methylprop-2-enoate has a molecular weight of 248.42 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-dimethylsilyloxy-2-methyl-1-sulfanylpropyl) 2-methylprop-2-enoate is sourced from PubChem (CID 123960307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).