(3,3-dimethoxy-3-silylpropyl) prop-2-enoate

C8H16O4Si — CID 123621094

IUPAC(3,3-dimethoxy-3-silylpropyl) prop-2-enoate
SMILESC=CC(=O)OCCC([SiH3])(OC)OC
InChIInChI=1S/C8H16O4Si/c1-4-7(9)12-6-5-8(13,10-2)11-3/h4H,1,5-6H2,2-3,13H3
InChIKeyYVXCQUDCYJYUML-UHFFFAOYSA-N
MW204.30 g/mol
LogP-0.58
Rot. Bonds6

About (3,3-dimethoxy-3-silylpropyl) prop-2-enoate

(3,3-dimethoxy-3-silylpropyl) prop-2-enoate (PubChem CID 123621094) has the molecular formula C8H16O4Si and a molecular weight of 204.30 g/mol. Its IUPAC name is (3,3-dimethoxy-3-silylpropyl) prop-2-enoate.

Molecular Properties

Compound Name(3,3-dimethoxy-3-silylpropyl) prop-2-enoate
PubChem CID123621094
Molecular FormulaC8H16O4Si
Molecular Weight204.30 g/mol
Exact Mass204.08
IUPAC Name(3,3-dimethoxy-3-silylpropyl) prop-2-enoate
SMILESC=CC(=O)OCCC([SiH3])(OC)OC
InChIInChI=1S/C8H16O4Si/c1-4-7(9)12-6-5-8(13,10-2)11-3/h4H,1,5-6H2,2-3,13H3
InChIKeyYVXCQUDCYJYUML-UHFFFAOYSA-N
XLogP-0.58
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.30
LogP ≤ 5-0.58
H-Bond Donors ≤ 50
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'}

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Related Compounds

(4,4-dimethoxy-4-silylbutyl) prop-2-enoate;3-trimethoxysilylpropyl prop-2-enoate
CID 173157116
3,3-difluorobutyl prop-2-enoate
CID 139844098
(3-methyl-3-prop-2-enoyloxybutyl) prop-2-enoate
CID 19428987
(3-hydroxy-3-methylpentyl) prop-2-enoate
CID 54291142
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
3-(trimethyl-λ4-sulfanyl)propyl prop-2-enoate
CID 150380231
4-methoxybutyl prop-2-enoate
CID 22321356
3,3,5-trimethylhexyl prop-2-enoate
CID 22633706
methyl 3-prop-2-enoyloxypropanoate
CID 14496497
(4,4-ditert-butyl-5,5-dimethylhexyl) prop-2-enoate
CID 18739244
3,3,4,4,7,7,8,8,11,11,12,12,12-tridecafluorododecyl prop-2-enoate
CID 87121766
4-prop-2-enoyloxybutyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate
CID 158256375

Frequently Asked Questions

What is the IUPAC name of (3,3-dimethoxy-3-silylpropyl) prop-2-enoate?
The IUPAC name of (3,3-dimethoxy-3-silylpropyl) prop-2-enoate (CID 123621094) is (3,3-dimethoxy-3-silylpropyl) prop-2-enoate.
What is the SMILES notation for (3,3-dimethoxy-3-silylpropyl) prop-2-enoate?
The canonical SMILES for (3,3-dimethoxy-3-silylpropyl) prop-2-enoate is C=CC(=O)OCCC([SiH3])(OC)OC.
What is the InChIKey of (3,3-dimethoxy-3-silylpropyl) prop-2-enoate?
The InChIKey is YVXCQUDCYJYUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O4Si/c1-4-7(9)12-6-5-8(13,10-2)11-3/h4H,1,5-6H2,2-3,13H3.
What are the key properties of (3,3-dimethoxy-3-silylpropyl) prop-2-enoate?
(3,3-dimethoxy-3-silylpropyl) prop-2-enoate has a molecular weight of 204.30 g/mol, XLogP of -0.58, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethoxy-3-silylpropyl) prop-2-enoate is sourced from PubChem (CID 123621094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).