[(E)-3-[(1S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethylcyclopropyl]prop-2-enyl] ethyl carbonate

C18H34O4Si — CID 135031902

IUPAC[(E)-3-[(1S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethylcyclopropyl]prop-2-enyl] ethyl carbonate
SMILESCCOC(=O)OC/C=C/[C@H]1[C@@H](CO[Si](C)(C)C(C)(C)C)C1(C)C
InChIInChI=1S/C18H34O4Si/c1-9-20-16(19)21-12-10-11-14-15(18(14,5)6)13-22-23(7,8)17(2,3)4/h10-11,14-15H,9,12-13H2,1-8H3/b11-10+/t14-,15+/m0/s1
InChIKeyZVSRDCRZXZGOAW-KZGTWKPJSA-N
MW342.55 g/mol
LogP5.01
Rot. Bonds7

About [(E)-3-[(1S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethylcyclopropyl]prop-2-enyl] ethyl carbonate

[(E)-3-[(1S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethylcyclopropyl]prop-2-enyl] ethyl carbonate (PubChem CID 135031902) has the molecular formula C18H34O4Si and a molecular weight of 342.55 g/mol. Its IUPAC name is [(E)-3-[(1S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethylcyclopropyl]prop-2-enyl] ethyl carbonate.

Molecular Properties

Compound Name[(E)-3-[(1S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethylcyclopropyl]prop-2-enyl] ethyl carbonate
PubChem CID135031902
Molecular FormulaC18H34O4Si
Molecular Weight342.55 g/mol
Exact Mass342.22
IUPAC Name[(E)-3-[(1S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethylcyclopropyl]prop-2-enyl] ethyl carbonate
SMILESCCOC(=O)OC/C=C/[C@H]1[C@@H](CO[Si](C)(C)C(C)(C)C)C1(C)C
InChIInChI=1S/C18H34O4Si/c1-9-20-16(19)21-12-10-11-14-15(18(14,5)6)13-22-23(7,8)17(2,3)4/h10-11,14-15H,9,12-13H2,1-8H3/b11-10+/t14-,15+/m0/s1
InChIKeyZVSRDCRZXZGOAW-KZGTWKPJSA-N
XLogP5.01
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.55
LogP ≤ 55.01
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'}

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Related Compounds

ethyl (E)-3-[(1S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethylcyclopropyl]prop-2-enoate
CID 135031674

Frequently Asked Questions

What is the IUPAC name of [(E)-3-[(1S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethylcyclopropyl]prop-2-enyl] ethyl carbonate?
The IUPAC name of [(E)-3-[(1S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethylcyclopropyl]prop-2-enyl] ethyl carbonate (CID 135031902) is [(E)-3-[(1S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethylcyclopropyl]prop-2-enyl] ethyl carbonate.
What is the SMILES notation for [(E)-3-[(1S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethylcyclopropyl]prop-2-enyl] ethyl carbonate?
The canonical SMILES for [(E)-3-[(1S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethylcyclopropyl]prop-2-enyl] ethyl carbonate is CCOC(=O)OC/C=C/[C@H]1[C@@H](CO[Si](C)(C)C(C)(C)C)C1(C)C.
What is the InChIKey of [(E)-3-[(1S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethylcyclopropyl]prop-2-enyl] ethyl carbonate?
The InChIKey is ZVSRDCRZXZGOAW-KZGTWKPJSA-N. The full InChI is InChI=1S/C18H34O4Si/c1-9-20-16(19)21-12-10-11-14-15(18(14,5)6)13-22-23(7,8)17(2,3)4/h10-11,14-15H,9,12-13H2,1-8H3/b11-10+/t14-,15+/m0/s1.
What are the key properties of [(E)-3-[(1S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethylcyclopropyl]prop-2-enyl] ethyl carbonate?
[(E)-3-[(1S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethylcyclopropyl]prop-2-enyl] ethyl carbonate has a molecular weight of 342.55 g/mol, XLogP of 5.01, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-[(1S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethylcyclopropyl]prop-2-enyl] ethyl carbonate is sourced from PubChem (CID 135031902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).