ethenyl [2-[tri(propan-2-yl)silyloxymethyl]cyclohex-2-en-1-yl] carbonate

C19H34O4Si — CID 139252787

IUPACethenyl [2-[tri(propan-2-yl)silyloxymethyl]cyclohex-2-en-1-yl] carbonate
SMILESC=COC(=O)OC1CCCC=C1CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C19H34O4Si/c1-8-21-19(20)23-18-12-10-9-11-17(18)13-22-24(14(2)3,15(4)5)16(6)7/h8,11,14-16,18H,1,9-10,12-13H2,2-7H3
InChIKeyAYZLIEKIYYYJQO-UHFFFAOYSA-N
MW354.56 g/mol
LogP5.95
Rot. Bonds8

About ethenyl [2-[tri(propan-2-yl)silyloxymethyl]cyclohex-2-en-1-yl] carbonate

ethenyl [2-[tri(propan-2-yl)silyloxymethyl]cyclohex-2-en-1-yl] carbonate (PubChem CID 139252787) has the molecular formula C19H34O4Si and a molecular weight of 354.56 g/mol. Its IUPAC name is ethenyl [2-[tri(propan-2-yl)silyloxymethyl]cyclohex-2-en-1-yl] carbonate.

Molecular Properties

Compound Nameethenyl [2-[tri(propan-2-yl)silyloxymethyl]cyclohex-2-en-1-yl] carbonate
PubChem CID139252787
Molecular FormulaC19H34O4Si
Molecular Weight354.56 g/mol
Exact Mass354.22
IUPAC Nameethenyl [2-[tri(propan-2-yl)silyloxymethyl]cyclohex-2-en-1-yl] carbonate
SMILESC=COC(=O)OC1CCCC=C1CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C19H34O4Si/c1-8-21-19(20)23-18-12-10-9-11-17(18)13-22-24(14(2)3,15(4)5)16(6)7/h8,11,14-16,18H,1,9-10,12-13H2,2-7H3
InChIKeyAYZLIEKIYYYJQO-UHFFFAOYSA-N
XLogP5.95
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.56
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethenyl [2-[tri(propan-2-yl)silyloxymethyl]cyclohex-2-en-1-yl] carbonate?
The IUPAC name of ethenyl [2-[tri(propan-2-yl)silyloxymethyl]cyclohex-2-en-1-yl] carbonate (CID 139252787) is ethenyl [2-[tri(propan-2-yl)silyloxymethyl]cyclohex-2-en-1-yl] carbonate.
What is the SMILES notation for ethenyl [2-[tri(propan-2-yl)silyloxymethyl]cyclohex-2-en-1-yl] carbonate?
The canonical SMILES for ethenyl [2-[tri(propan-2-yl)silyloxymethyl]cyclohex-2-en-1-yl] carbonate is C=COC(=O)OC1CCCC=C1CO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of ethenyl [2-[tri(propan-2-yl)silyloxymethyl]cyclohex-2-en-1-yl] carbonate?
The InChIKey is AYZLIEKIYYYJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O4Si/c1-8-21-19(20)23-18-12-10-9-11-17(18)13-22-24(14(2)3,15(4)5)16(6)7/h8,11,14-16,18H,1,9-10,12-13H2,2-7H3.
What are the key properties of ethenyl [2-[tri(propan-2-yl)silyloxymethyl]cyclohex-2-en-1-yl] carbonate?
ethenyl [2-[tri(propan-2-yl)silyloxymethyl]cyclohex-2-en-1-yl] carbonate has a molecular weight of 354.56 g/mol, XLogP of 5.95, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl [2-[tri(propan-2-yl)silyloxymethyl]cyclohex-2-en-1-yl] carbonate is sourced from PubChem (CID 139252787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).