(2-dimethylsilyloxy-2-methylpropyl) prop-2-enoate

C9H18O3Si — CID 123610897

IUPAC(2-dimethylsilyloxy-2-methylpropyl) prop-2-enoate
SMILESC=CC(=O)OCC(C)(C)O[SiH](C)C
InChIInChI=1S/C9H18O3Si/c1-6-8(10)11-7-9(2,3)12-13(4)5/h6,13H,1,7H2,2-5H3
InChIKeyCRGKMKNWUSMDNX-UHFFFAOYSA-N
MW202.33 g/mol
LogP1.49
Rot. Bonds5

About (2-dimethylsilyloxy-2-methylpropyl) prop-2-enoate

(2-dimethylsilyloxy-2-methylpropyl) prop-2-enoate (PubChem CID 123610897) has the molecular formula C9H18O3Si and a molecular weight of 202.33 g/mol. Its IUPAC name is (2-dimethylsilyloxy-2-methylpropyl) prop-2-enoate.

Molecular Properties

Compound Name(2-dimethylsilyloxy-2-methylpropyl) prop-2-enoate
PubChem CID123610897
Molecular FormulaC9H18O3Si
Molecular Weight202.33 g/mol
Exact Mass202.10
IUPAC Name(2-dimethylsilyloxy-2-methylpropyl) prop-2-enoate
SMILESC=CC(=O)OCC(C)(C)O[SiH](C)C
InChIInChI=1S/C9H18O3Si/c1-6-8(10)11-7-9(2,3)12-13(4)5/h6,13H,1,7H2,2-5H3
InChIKeyCRGKMKNWUSMDNX-UHFFFAOYSA-N
XLogP1.49
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.33
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

(2,2-dimethyl-3-prop-2-enoyloxypropyl) prop-2-enoate
CID 16680
[3-ethyl-2-methyl-2-(prop-2-enoyloxymethyl)pentyl] prop-2-enoate
CID 175965047
(2-hydroxy-2-methyl-3-oxopent-4-enyl) prop-2-enoate
CID 174578379
boranuide;[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propyl] prop-2-enoate
CID 161197836
(3,3,3-trifluoro-2-hydroxy-2-methylpropyl) prop-2-enoate
CID 58173753
2,2-dimethylbutyl prop-2-enoate;methanediol
CID 143956030
2,2,2-tri(prop-2-enoyloxy)ethyl prop-2-enoate
CID 19981602
(2-amino-2-ethylbutyl) prop-2-enoate
CID 57112910
diethyl-methyl-(2-methyl-1-prop-2-enoyloxypropan-2-yl)azanium
CID 156790116
2,2-dimethylpropyl prop-2-enoate;2-methylprop-2-enoic acid
CID 158445873
(2-tert-butyl-2,4,4-trimethylpentyl) prop-2-enoate
CID 88560431
(2-isocyanato-2-methylpropyl) prop-2-enoate
CID 87301919

Frequently Asked Questions

What is the IUPAC name of (2-dimethylsilyloxy-2-methylpropyl) prop-2-enoate?
The IUPAC name of (2-dimethylsilyloxy-2-methylpropyl) prop-2-enoate (CID 123610897) is (2-dimethylsilyloxy-2-methylpropyl) prop-2-enoate.
What is the SMILES notation for (2-dimethylsilyloxy-2-methylpropyl) prop-2-enoate?
The canonical SMILES for (2-dimethylsilyloxy-2-methylpropyl) prop-2-enoate is C=CC(=O)OCC(C)(C)O[SiH](C)C.
What is the InChIKey of (2-dimethylsilyloxy-2-methylpropyl) prop-2-enoate?
The InChIKey is CRGKMKNWUSMDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3Si/c1-6-8(10)11-7-9(2,3)12-13(4)5/h6,13H,1,7H2,2-5H3.
What are the key properties of (2-dimethylsilyloxy-2-methylpropyl) prop-2-enoate?
(2-dimethylsilyloxy-2-methylpropyl) prop-2-enoate has a molecular weight of 202.33 g/mol, XLogP of 1.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-dimethylsilyloxy-2-methylpropyl) prop-2-enoate is sourced from PubChem (CID 123610897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).