2-[(E)-1-[tert-butyl(dimethyl)silyl]oxypent-2-enyl]-3,3a,6,7,8,8a-hexahydro-2H-furo[3,2-b]oxepin-5-one

C19H34O4Si — CID 5388218

IUPAC2-[(E)-1-[tert-butyl(dimethyl)silyl]oxypent-2-enyl]-3,3a,6,7,8,8a-hexahydro-2H-furo[3,2-b]oxepin-5-one
SMILESCC/C=C/C(O[Si](C)(C)C(C)(C)C)C1CC2OC(=O)CCCC2O1
InChIInChI=1S/C19H34O4Si/c1-7-8-10-15(23-24(5,6)19(2,3)4)17-13-16-14(21-17)11-9-12-18(20)22-16/h8,10,14-17H,7,9,11-13H2,1-6H3/b10-8+
InChIKeyGCLXHWLGCYDEMG-CSKARUKUSA-N
MW354.56 g/mol
LogP4.60
Rot. Bonds5

About 2-[(E)-1-[tert-butyl(dimethyl)silyl]oxypent-2-enyl]-3,3a,6,7,8,8a-hexahydro-2H-furo[3,2-b]oxepin-5-one

2-[(E)-1-[tert-butyl(dimethyl)silyl]oxypent-2-enyl]-3,3a,6,7,8,8a-hexahydro-2H-furo[3,2-b]oxepin-5-one (PubChem CID 5388218) has the molecular formula C19H34O4Si and a molecular weight of 354.56 g/mol. Its IUPAC name is 2-[(E)-1-[tert-butyl(dimethyl)silyl]oxypent-2-enyl]-3,3a,6,7,8,8a-hexahydro-2H-furo[3,2-b]oxepin-5-one.

Molecular Properties

Compound Name2-[(E)-1-[tert-butyl(dimethyl)silyl]oxypent-2-enyl]-3,3a,6,7,8,8a-hexahydro-2H-furo[3,2-b]oxepin-5-one
PubChem CID5388218
Molecular FormulaC19H34O4Si
Molecular Weight354.56 g/mol
Exact Mass354.22
IUPAC Name2-[(E)-1-[tert-butyl(dimethyl)silyl]oxypent-2-enyl]-3,3a,6,7,8,8a-hexahydro-2H-furo[3,2-b]oxepin-5-one
SMILESCC/C=C/C(O[Si](C)(C)C(C)(C)C)C1CC2OC(=O)CCCC2O1
InChIInChI=1S/C19H34O4Si/c1-7-8-10-15(23-24(5,6)19(2,3)4)17-13-16-14(21-17)11-9-12-18(20)22-16/h8,10,14-17H,7,9,11-13H2,1-6H3/b10-8+
InChIKeyGCLXHWLGCYDEMG-CSKARUKUSA-N
XLogP4.60
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.56
LogP ≤ 54.60
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-[(E)-1-[tert-butyl(dimethyl)silyl]oxypent-2-enyl]-3,3a,6,7,8,8a-hexahydro-2H-furo[3,2-b]oxepin-5-one 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-[(E)-1-[tert-butyl(dimethyl)silyl]oxypent-2-enyl]-3,3a,6,7,8,8a-hexahydro-2H-furo[3,2-b]oxepin-5-one?
The IUPAC name of 2-[(E)-1-[tert-butyl(dimethyl)silyl]oxypent-2-enyl]-3,3a,6,7,8,8a-hexahydro-2H-furo[3,2-b]oxepin-5-one (CID 5388218) is 2-[(E)-1-[tert-butyl(dimethyl)silyl]oxypent-2-enyl]-3,3a,6,7,8,8a-hexahydro-2H-furo[3,2-b]oxepin-5-one.
What is the SMILES notation for 2-[(E)-1-[tert-butyl(dimethyl)silyl]oxypent-2-enyl]-3,3a,6,7,8,8a-hexahydro-2H-furo[3,2-b]oxepin-5-one?
The canonical SMILES for 2-[(E)-1-[tert-butyl(dimethyl)silyl]oxypent-2-enyl]-3,3a,6,7,8,8a-hexahydro-2H-furo[3,2-b]oxepin-5-one is CC/C=C/C(O[Si](C)(C)C(C)(C)C)C1CC2OC(=O)CCCC2O1.
What is the InChIKey of 2-[(E)-1-[tert-butyl(dimethyl)silyl]oxypent-2-enyl]-3,3a,6,7,8,8a-hexahydro-2H-furo[3,2-b]oxepin-5-one?
The InChIKey is GCLXHWLGCYDEMG-CSKARUKUSA-N. The full InChI is InChI=1S/C19H34O4Si/c1-7-8-10-15(23-24(5,6)19(2,3)4)17-13-16-14(21-17)11-9-12-18(20)22-16/h8,10,14-17H,7,9,11-13H2,1-6H3/b10-8+.
What are the key properties of 2-[(E)-1-[tert-butyl(dimethyl)silyl]oxypent-2-enyl]-3,3a,6,7,8,8a-hexahydro-2H-furo[3,2-b]oxepin-5-one?
2-[(E)-1-[tert-butyl(dimethyl)silyl]oxypent-2-enyl]-3,3a,6,7,8,8a-hexahydro-2H-furo[3,2-b]oxepin-5-one has a molecular weight of 354.56 g/mol, XLogP of 4.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-1-[tert-butyl(dimethyl)silyl]oxypent-2-enyl]-3,3a,6,7,8,8a-hexahydro-2H-furo[3,2-b]oxepin-5-one is sourced from PubChem (CID 5388218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).