butyl prop-2-enoate;methyl 2-methylprop-2-enoate;styrene;3-trimethoxysilylpropyl 2-methylprop-2-enoate

C30H48O9Si — CID 67843031

IUPACbutyl prop-2-enoate;methyl 2-methylprop-2-enoate;styrene;3-trimethoxysilylpropyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC.C=C(C)C(=O)OCCC[Si](OC)(OC)OC.C=CC(=O)OCCCC.C=Cc1ccccc1
InChIInChI=1S/C10H20O5Si.C8H8.C7H12O2.C5H8O2/c1-9(2)10(11)15-7-6-8-16(12-3,13-4)14-5;1-2-8-6-4-3-5-7-8;1-3-5-6-9-7(8)4-2;1-4(2)5(6)7-3/h1,6-8H2,2-5H3;2-7H,1H2;4H,2-3,5-6H2,1H3;1H2,2-3H3
InChIKeyHFVXWYVMXYGRAD-UHFFFAOYSA-N
MW580.79 g/mol
LogP5.95
Rot. Bonds14

About butyl prop-2-enoate;methyl 2-methylprop-2-enoate;styrene;3-trimethoxysilylpropyl 2-methylprop-2-enoate

butyl prop-2-enoate;methyl 2-methylprop-2-enoate;styrene;3-trimethoxysilylpropyl 2-methylprop-2-enoate (PubChem CID 67843031) has the molecular formula C30H48O9Si and a molecular weight of 580.79 g/mol. Its IUPAC name is butyl prop-2-enoate;methyl 2-methylprop-2-enoate;styrene;3-trimethoxysilylpropyl 2-methylprop-2-enoate.

Molecular Properties

Compound Namebutyl prop-2-enoate;methyl 2-methylprop-2-enoate;styrene;3-trimethoxysilylpropyl 2-methylprop-2-enoate
PubChem CID67843031
Molecular FormulaC30H48O9Si
Molecular Weight580.79 g/mol
Exact Mass580.31
IUPAC Namebutyl prop-2-enoate;methyl 2-methylprop-2-enoate;styrene;3-trimethoxysilylpropyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC.C=C(C)C(=O)OCCC[Si](OC)(OC)OC.C=CC(=O)OCCCC.C=Cc1ccccc1
InChIInChI=1S/C10H20O5Si.C8H8.C7H12O2.C5H8O2/c1-9(2)10(11)15-7-6-8-16(12-3,13-4)14-5;1-2-8-6-4-3-5-7-8;1-3-5-6-9-7(8)4-2;1-4(2)5(6)7-3/h1,6-8H2,2-5H3;2-7H,1H2;4H,2-3,5-6H2,1H3;1H2,2-3H3
InChIKeyHFVXWYVMXYGRAD-UHFFFAOYSA-N
XLogP5.95
TPSA106.59 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.79
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of butyl prop-2-enoate;methyl 2-methylprop-2-enoate;styrene;3-trimethoxysilylpropyl 2-methylprop-2-enoate?
The IUPAC name of butyl prop-2-enoate;methyl 2-methylprop-2-enoate;styrene;3-trimethoxysilylpropyl 2-methylprop-2-enoate (CID 67843031) is butyl prop-2-enoate;methyl 2-methylprop-2-enoate;styrene;3-trimethoxysilylpropyl 2-methylprop-2-enoate.
What is the SMILES notation for butyl prop-2-enoate;methyl 2-methylprop-2-enoate;styrene;3-trimethoxysilylpropyl 2-methylprop-2-enoate?
The canonical SMILES for butyl prop-2-enoate;methyl 2-methylprop-2-enoate;styrene;3-trimethoxysilylpropyl 2-methylprop-2-enoate is C=C(C)C(=O)OC.C=C(C)C(=O)OCCC[Si](OC)(OC)OC.C=CC(=O)OCCCC.C=Cc1ccccc1.
What is the InChIKey of butyl prop-2-enoate;methyl 2-methylprop-2-enoate;styrene;3-trimethoxysilylpropyl 2-methylprop-2-enoate?
The InChIKey is HFVXWYVMXYGRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O5Si.C8H8.C7H12O2.C5H8O2/c1-9(2)10(11)15-7-6-8-16(12-3,13-4)14-5;1-2-8-6-4-3-5-7-8;1-3-5-6-9-7(8)4-2;1-4(2)5(6)7-3/h1,6-8H2,2-5H3;2-7H,1H2;4H,2-3,5-6H2,1H3;1H2,2-3H3.
What are the key properties of butyl prop-2-enoate;methyl 2-methylprop-2-enoate;styrene;3-trimethoxysilylpropyl 2-methylprop-2-enoate?
butyl prop-2-enoate;methyl 2-methylprop-2-enoate;styrene;3-trimethoxysilylpropyl 2-methylprop-2-enoate has a molecular weight of 580.79 g/mol, XLogP of 5.95, 14 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for butyl prop-2-enoate;methyl 2-methylprop-2-enoate;styrene;3-trimethoxysilylpropyl 2-methylprop-2-enoate is sourced from PubChem (CID 67843031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).