methyl 2-[[1-tris(trimethylsilyl)silyloxycyclohexyl]methyl]prop-2-enoate

C20H44O3Si4 — CID 10551301

IUPACmethyl 2-[[1-tris(trimethylsilyl)silyloxycyclohexyl]methyl]prop-2-enoate
SMILESC=C(CC1(O[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)CCCCC1)C(=O)OC
InChIInChI=1S/C20H44O3Si4/c1-18(19(21)22-2)17-20(15-13-12-14-16-20)23-27(24(3,4)5,25(6,7)8)26(9,10)11/h1,12-17H2,2-11H3
InChIKeyMNWNZXGIZRUWEI-UHFFFAOYSA-N
MW444.91 g/mol
LogP6.02
Rot. Bonds8

About methyl 2-[[1-tris(trimethylsilyl)silyloxycyclohexyl]methyl]prop-2-enoate

methyl 2-[[1-tris(trimethylsilyl)silyloxycyclohexyl]methyl]prop-2-enoate (PubChem CID 10551301) has the molecular formula C20H44O3Si4 and a molecular weight of 444.91 g/mol. Its IUPAC name is methyl 2-[[1-tris(trimethylsilyl)silyloxycyclohexyl]methyl]prop-2-enoate.

Molecular Properties

Compound Namemethyl 2-[[1-tris(trimethylsilyl)silyloxycyclohexyl]methyl]prop-2-enoate
PubChem CID10551301
Molecular FormulaC20H44O3Si4
Molecular Weight444.91 g/mol
Exact Mass444.24
IUPAC Namemethyl 2-[[1-tris(trimethylsilyl)silyloxycyclohexyl]methyl]prop-2-enoate
SMILESC=C(CC1(O[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)CCCCC1)C(=O)OC
InChIInChI=1S/C20H44O3Si4/c1-18(19(21)22-2)17-20(15-13-12-14-16-20)23-27(24(3,4)5,25(6,7)8)26(9,10)11/h1,12-17H2,2-11H3
InChIKeyMNWNZXGIZRUWEI-UHFFFAOYSA-N
XLogP6.02
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.91
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 methyl 2-[[1-tris(trimethylsilyl)silyloxycyclohexyl]methyl]prop-2-enoate?
The IUPAC name of methyl 2-[[1-tris(trimethylsilyl)silyloxycyclohexyl]methyl]prop-2-enoate (CID 10551301) is methyl 2-[[1-tris(trimethylsilyl)silyloxycyclohexyl]methyl]prop-2-enoate.
What is the SMILES notation for methyl 2-[[1-tris(trimethylsilyl)silyloxycyclohexyl]methyl]prop-2-enoate?
The canonical SMILES for methyl 2-[[1-tris(trimethylsilyl)silyloxycyclohexyl]methyl]prop-2-enoate is C=C(CC1(O[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)CCCCC1)C(=O)OC.
What is the InChIKey of methyl 2-[[1-tris(trimethylsilyl)silyloxycyclohexyl]methyl]prop-2-enoate?
The InChIKey is MNWNZXGIZRUWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H44O3Si4/c1-18(19(21)22-2)17-20(15-13-12-14-16-20)23-27(24(3,4)5,25(6,7)8)26(9,10)11/h1,12-17H2,2-11H3.
What are the key properties of methyl 2-[[1-tris(trimethylsilyl)silyloxycyclohexyl]methyl]prop-2-enoate?
methyl 2-[[1-tris(trimethylsilyl)silyloxycyclohexyl]methyl]prop-2-enoate has a molecular weight of 444.91 g/mol, XLogP of 6.02, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-tris(trimethylsilyl)silyloxycyclohexyl]methyl]prop-2-enoate is sourced from PubChem (CID 10551301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).