[2-[tert-butyl(dimethyl)silyl]oxycyclohexen-1-yl] prop-2-enyl carbonate

C16H28O4Si — CID 102157754

IUPAC[2-[tert-butyl(dimethyl)silyl]oxycyclohexen-1-yl] prop-2-enyl carbonate
SMILESC=CCOC(=O)OC1=C(O[Si](C)(C)C(C)(C)C)CCCC1
InChIInChI=1S/C16H28O4Si/c1-7-12-18-15(17)19-13-10-8-9-11-14(13)20-21(5,6)16(2,3)4/h7H,1,8-12H2,2-6H3
InChIKeyPFCXYKXGNQFXRE-UHFFFAOYSA-N
MW312.48 g/mol
LogP5.13
Rot. Bonds5

About [2-[tert-butyl(dimethyl)silyl]oxycyclohexen-1-yl] prop-2-enyl carbonate

[2-[tert-butyl(dimethyl)silyl]oxycyclohexen-1-yl] prop-2-enyl carbonate (PubChem CID 102157754) has the molecular formula C16H28O4Si and a molecular weight of 312.48 g/mol. Its IUPAC name is [2-[tert-butyl(dimethyl)silyl]oxycyclohexen-1-yl] prop-2-enyl carbonate.

Molecular Properties

Compound Name[2-[tert-butyl(dimethyl)silyl]oxycyclohexen-1-yl] prop-2-enyl carbonate
PubChem CID102157754
Molecular FormulaC16H28O4Si
Molecular Weight312.48 g/mol
Exact Mass312.18
IUPAC Name[2-[tert-butyl(dimethyl)silyl]oxycyclohexen-1-yl] prop-2-enyl carbonate
SMILESC=CCOC(=O)OC1=C(O[Si](C)(C)C(C)(C)C)CCCC1
InChIInChI=1S/C16H28O4Si/c1-7-12-18-15(17)19-13-10-8-9-11-14(13)20-21(5,6)16(2,3)4/h7H,1,8-12H2,2-6H3
InChIKeyPFCXYKXGNQFXRE-UHFFFAOYSA-N
XLogP5.13
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.48
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [2-[tert-butyl(dimethyl)silyl]oxycyclohexen-1-yl] prop-2-enyl carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[tert-butyl(dimethyl)silyl]oxycyclohexen-1-yl] prop-2-enyl carbonate?
The IUPAC name of [2-[tert-butyl(dimethyl)silyl]oxycyclohexen-1-yl] prop-2-enyl carbonate (CID 102157754) is [2-[tert-butyl(dimethyl)silyl]oxycyclohexen-1-yl] prop-2-enyl carbonate.
What is the SMILES notation for [2-[tert-butyl(dimethyl)silyl]oxycyclohexen-1-yl] prop-2-enyl carbonate?
The canonical SMILES for [2-[tert-butyl(dimethyl)silyl]oxycyclohexen-1-yl] prop-2-enyl carbonate is C=CCOC(=O)OC1=C(O[Si](C)(C)C(C)(C)C)CCCC1.
What is the InChIKey of [2-[tert-butyl(dimethyl)silyl]oxycyclohexen-1-yl] prop-2-enyl carbonate?
The InChIKey is PFCXYKXGNQFXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O4Si/c1-7-12-18-15(17)19-13-10-8-9-11-14(13)20-21(5,6)16(2,3)4/h7H,1,8-12H2,2-6H3.
What are the key properties of [2-[tert-butyl(dimethyl)silyl]oxycyclohexen-1-yl] prop-2-enyl carbonate?
[2-[tert-butyl(dimethyl)silyl]oxycyclohexen-1-yl] prop-2-enyl carbonate has a molecular weight of 312.48 g/mol, XLogP of 5.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[tert-butyl(dimethyl)silyl]oxycyclohexen-1-yl] prop-2-enyl carbonate is sourced from PubChem (CID 102157754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).