1-trimethoxysilylpropyl 4,4-dimethoxy-2-methylhex-2-enoate

C15H30O7Si — CID 175138852

IUPAC1-trimethoxysilylpropyl 4,4-dimethoxy-2-methylhex-2-enoate
SMILESCCC(OC(=O)C(C)=CC(CC)(OC)OC)[Si](OC)(OC)OC
InChIInChI=1S/C15H30O7Si/c1-9-13(23(19-6,20-7)21-8)22-14(16)12(3)11-15(10-2,17-4)18-5/h11,13H,9-10H2,1-8H3
InChIKeyNMYIYDICUMXGMV-UHFFFAOYSA-N
MW350.48 g/mol
LogP2.07
Rot. Bonds11

About 1-trimethoxysilylpropyl 4,4-dimethoxy-2-methylhex-2-enoate

1-trimethoxysilylpropyl 4,4-dimethoxy-2-methylhex-2-enoate (PubChem CID 175138852) has the molecular formula C15H30O7Si and a molecular weight of 350.48 g/mol. Its IUPAC name is 1-trimethoxysilylpropyl 4,4-dimethoxy-2-methylhex-2-enoate.

Molecular Properties

Compound Name1-trimethoxysilylpropyl 4,4-dimethoxy-2-methylhex-2-enoate
PubChem CID175138852
Molecular FormulaC15H30O7Si
Molecular Weight350.48 g/mol
Exact Mass350.18
IUPAC Name1-trimethoxysilylpropyl 4,4-dimethoxy-2-methylhex-2-enoate
SMILESCCC(OC(=O)C(C)=CC(CC)(OC)OC)[Si](OC)(OC)OC
InChIInChI=1S/C15H30O7Si/c1-9-13(23(19-6,20-7)21-8)22-14(16)12(3)11-15(10-2,17-4)18-5/h11,13H,9-10H2,1-8H3
InChIKeyNMYIYDICUMXGMV-UHFFFAOYSA-N
XLogP2.07
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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Frequently Asked Questions

What is the IUPAC name of 1-trimethoxysilylpropyl 4,4-dimethoxy-2-methylhex-2-enoate?
The IUPAC name of 1-trimethoxysilylpropyl 4,4-dimethoxy-2-methylhex-2-enoate (CID 175138852) is 1-trimethoxysilylpropyl 4,4-dimethoxy-2-methylhex-2-enoate.
What is the SMILES notation for 1-trimethoxysilylpropyl 4,4-dimethoxy-2-methylhex-2-enoate?
The canonical SMILES for 1-trimethoxysilylpropyl 4,4-dimethoxy-2-methylhex-2-enoate is CCC(OC(=O)C(C)=CC(CC)(OC)OC)[Si](OC)(OC)OC.
What is the InChIKey of 1-trimethoxysilylpropyl 4,4-dimethoxy-2-methylhex-2-enoate?
The InChIKey is NMYIYDICUMXGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O7Si/c1-9-13(23(19-6,20-7)21-8)22-14(16)12(3)11-15(10-2,17-4)18-5/h11,13H,9-10H2,1-8H3.
What are the key properties of 1-trimethoxysilylpropyl 4,4-dimethoxy-2-methylhex-2-enoate?
1-trimethoxysilylpropyl 4,4-dimethoxy-2-methylhex-2-enoate has a molecular weight of 350.48 g/mol, XLogP of 2.07, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-trimethoxysilylpropyl 4,4-dimethoxy-2-methylhex-2-enoate is sourced from PubChem (CID 175138852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).