3-[dimethoxy-[(prop-2-enoylamino)methoxy]silyl]propyl 2-methylprop-2-enoate

C13H23NO6Si — CID 139788654

IUPAC3-[dimethoxy-[(prop-2-enoylamino)methoxy]silyl]propyl 2-methylprop-2-enoate
SMILESC=CC(=O)NCO[Si](CCCOC(=O)C(=C)C)(OC)OC
InChIInChI=1S/C13H23NO6Si/c1-6-12(15)14-10-20-21(17-4,18-5)9-7-8-19-13(16)11(2)3/h6H,1-2,7-10H2,3-5H3,(H,14,15)
InChIKeyCAZBUIDHPWVMLX-UHFFFAOYSA-N
MW317.41 g/mol
LogP1.00
Rot. Bonds11

About 3-[dimethoxy-[(prop-2-enoylamino)methoxy]silyl]propyl 2-methylprop-2-enoate

3-[dimethoxy-[(prop-2-enoylamino)methoxy]silyl]propyl 2-methylprop-2-enoate (PubChem CID 139788654) has the molecular formula C13H23NO6Si and a molecular weight of 317.41 g/mol. Its IUPAC name is 3-[dimethoxy-[(prop-2-enoylamino)methoxy]silyl]propyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name3-[dimethoxy-[(prop-2-enoylamino)methoxy]silyl]propyl 2-methylprop-2-enoate
PubChem CID139788654
Molecular FormulaC13H23NO6Si
Molecular Weight317.41 g/mol
Exact Mass317.13
IUPAC Name3-[dimethoxy-[(prop-2-enoylamino)methoxy]silyl]propyl 2-methylprop-2-enoate
SMILESC=CC(=O)NCO[Si](CCCOC(=O)C(=C)C)(OC)OC
InChIInChI=1S/C13H23NO6Si/c1-6-12(15)14-10-20-21(17-4,18-5)9-7-8-19-13(16)11(2)3/h6H,1-2,7-10H2,3-5H3,(H,14,15)
InChIKeyCAZBUIDHPWVMLX-UHFFFAOYSA-N
XLogP1.00
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

azane;3-trimethoxysilylpropyl 2-methylprop-2-enoate
CID 174919252
3-[dimethoxy(propoxy)silyl]propyl 2-methylprop-2-enoate
CID 59762876
3-[dimethoxy(3-methylbut-3-enoxy)silyl]propyl 2-methylprop-2-enoate
CID 174924853
10-trimethoxysilyldecyl 2-methylprop-2-enoate
CID 14325398
3-silylpropyl 2-methylprop-2-enoate;3-trimethoxysilylpropyl prop-2-enoate
CID 174967199
propane-1-thiol;3-trimethoxysilylpropyl 2-methylprop-2-enoate
CID 174868664
12-[dimethoxy(propoxy)silyl]dodecyl 2-methylprop-2-enoate
CID 23199559
1,2-bis(ethenyl)benzene;3-trimethoxysilylpropyl 2-methylprop-2-enoate
CID 175495096
3-[dimethoxy-[2-(oxiran-2-yl)ethoxy]silyl]propyl 2-methylprop-2-enoate
CID 175429463
6-(3-trimethoxysilylpropylcarbamoyloxy)hexyl 2-methylprop-2-enoate
CID 171791213
methane;2,2,4,6,8-pentamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;3-trimethoxysilylpropyl 2-methylprop-2-enoate
CID 158389436
3-[2-[methoxy(dimethyl)silyl]ethyl-dimethylsilyl]propyl 2-methylprop-2-enoate
CID 140912977

Frequently Asked Questions

What is the IUPAC name of 3-[dimethoxy-[(prop-2-enoylamino)methoxy]silyl]propyl 2-methylprop-2-enoate?
The IUPAC name of 3-[dimethoxy-[(prop-2-enoylamino)methoxy]silyl]propyl 2-methylprop-2-enoate (CID 139788654) is 3-[dimethoxy-[(prop-2-enoylamino)methoxy]silyl]propyl 2-methylprop-2-enoate.
What is the SMILES notation for 3-[dimethoxy-[(prop-2-enoylamino)methoxy]silyl]propyl 2-methylprop-2-enoate?
The canonical SMILES for 3-[dimethoxy-[(prop-2-enoylamino)methoxy]silyl]propyl 2-methylprop-2-enoate is C=CC(=O)NCO[Si](CCCOC(=O)C(=C)C)(OC)OC.
What is the InChIKey of 3-[dimethoxy-[(prop-2-enoylamino)methoxy]silyl]propyl 2-methylprop-2-enoate?
The InChIKey is CAZBUIDHPWVMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO6Si/c1-6-12(15)14-10-20-21(17-4,18-5)9-7-8-19-13(16)11(2)3/h6H,1-2,7-10H2,3-5H3,(H,14,15).
What are the key properties of 3-[dimethoxy-[(prop-2-enoylamino)methoxy]silyl]propyl 2-methylprop-2-enoate?
3-[dimethoxy-[(prop-2-enoylamino)methoxy]silyl]propyl 2-methylprop-2-enoate has a molecular weight of 317.41 g/mol, XLogP of 1.00, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dimethoxy-[(prop-2-enoylamino)methoxy]silyl]propyl 2-methylprop-2-enoate is sourced from PubChem (CID 139788654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).