4-triethoxysilylbutyl 2-(7-bicyclo[4.1.0]heptanyl)prop-2-enoate

C20H36O5Si — CID 59702428

IUPAC4-triethoxysilylbutyl 2-(7-bicyclo[4.1.0]heptanyl)prop-2-enoate
SMILESC=C(C(=O)OCCCC[Si](OCC)(OCC)OCC)C1C2CCCCC21
InChIInChI=1S/C20H36O5Si/c1-5-23-26(24-6-2,25-7-3)15-11-10-14-22-20(21)16(4)19-17-12-8-9-13-18(17)19/h17-19H,4-15H2,1-3H3
InChIKeyMBCCVXPGJZAPFE-UHFFFAOYSA-N
MW384.59 g/mol
LogP4.35
Rot. Bonds13

About 4-triethoxysilylbutyl 2-(7-bicyclo[4.1.0]heptanyl)prop-2-enoate

4-triethoxysilylbutyl 2-(7-bicyclo[4.1.0]heptanyl)prop-2-enoate (PubChem CID 59702428) has the molecular formula C20H36O5Si and a molecular weight of 384.59 g/mol. Its IUPAC name is 4-triethoxysilylbutyl 2-(7-bicyclo[4.1.0]heptanyl)prop-2-enoate.

Molecular Properties

Compound Name4-triethoxysilylbutyl 2-(7-bicyclo[4.1.0]heptanyl)prop-2-enoate
PubChem CID59702428
Molecular FormulaC20H36O5Si
Molecular Weight384.59 g/mol
Exact Mass384.23
IUPAC Name4-triethoxysilylbutyl 2-(7-bicyclo[4.1.0]heptanyl)prop-2-enoate
SMILESC=C(C(=O)OCCCC[Si](OCC)(OCC)OCC)C1C2CCCCC21
InChIInChI=1S/C20H36O5Si/c1-5-23-26(24-6-2,25-7-3)15-11-10-14-22-20(21)16(4)19-17-12-8-9-13-18(17)19/h17-19H,4-15H2,1-3H3
InChIKeyMBCCVXPGJZAPFE-UHFFFAOYSA-N
XLogP4.35
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.59
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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 4-triethoxysilylbutyl 2-(7-bicyclo[4.1.0]heptanyl)prop-2-enoate?
The IUPAC name of 4-triethoxysilylbutyl 2-(7-bicyclo[4.1.0]heptanyl)prop-2-enoate (CID 59702428) is 4-triethoxysilylbutyl 2-(7-bicyclo[4.1.0]heptanyl)prop-2-enoate.
What is the SMILES notation for 4-triethoxysilylbutyl 2-(7-bicyclo[4.1.0]heptanyl)prop-2-enoate?
The canonical SMILES for 4-triethoxysilylbutyl 2-(7-bicyclo[4.1.0]heptanyl)prop-2-enoate is C=C(C(=O)OCCCC[Si](OCC)(OCC)OCC)C1C2CCCCC21.
What is the InChIKey of 4-triethoxysilylbutyl 2-(7-bicyclo[4.1.0]heptanyl)prop-2-enoate?
The InChIKey is MBCCVXPGJZAPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36O5Si/c1-5-23-26(24-6-2,25-7-3)15-11-10-14-22-20(21)16(4)19-17-12-8-9-13-18(17)19/h17-19H,4-15H2,1-3H3.
What are the key properties of 4-triethoxysilylbutyl 2-(7-bicyclo[4.1.0]heptanyl)prop-2-enoate?
4-triethoxysilylbutyl 2-(7-bicyclo[4.1.0]heptanyl)prop-2-enoate has a molecular weight of 384.59 g/mol, XLogP of 4.35, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-triethoxysilylbutyl 2-(7-bicyclo[4.1.0]heptanyl)prop-2-enoate is sourced from PubChem (CID 59702428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).