7,7-dimethyl-5-propa-1,2-dienyl-2-(2-trimethylsilylethoxy)-2,3,4,4a,5,6,9,9a-octahydropyrano[2,3-c]oxepine-3,4-diol

C19H34O5Si — CID 88915103

IUPAC7,7-dimethyl-5-propa-1,2-dienyl-2-(2-trimethylsilylethoxy)-2,3,4,4a,5,6,9,9a-octahydropyrano[2,3-c]oxepine-3,4-diol
SMILESC=C=CC1CC(C)(C)OCC2OC(OCC[Si](C)(C)C)C(O)C(O)C12
InChIInChI=1S/C19H34O5Si/c1-7-8-13-11-19(2,3)23-12-14-15(13)16(20)17(21)18(24-14)22-9-10-25(4,5)6/h8,13-18,20-21H,1,9-12H2,2-6H3
InChIKeyVVHOWOFTEXHDIU-UHFFFAOYSA-N
MW370.56 g/mol
LogP2.56
Rot. Bonds5

About 7,7-dimethyl-5-propa-1,2-dienyl-2-(2-trimethylsilylethoxy)-2,3,4,4a,5,6,9,9a-octahydropyrano[2,3-c]oxepine-3,4-diol

7,7-dimethyl-5-propa-1,2-dienyl-2-(2-trimethylsilylethoxy)-2,3,4,4a,5,6,9,9a-octahydropyrano[2,3-c]oxepine-3,4-diol (PubChem CID 88915103) has the molecular formula C19H34O5Si and a molecular weight of 370.56 g/mol. Its IUPAC name is 7,7-dimethyl-5-propa-1,2-dienyl-2-(2-trimethylsilylethoxy)-2,3,4,4a,5,6,9,9a-octahydropyrano[2,3-c]oxepine-3,4-diol.

Molecular Properties

Compound Name7,7-dimethyl-5-propa-1,2-dienyl-2-(2-trimethylsilylethoxy)-2,3,4,4a,5,6,9,9a-octahydropyrano[2,3-c]oxepine-3,4-diol
PubChem CID88915103
Molecular FormulaC19H34O5Si
Molecular Weight370.56 g/mol
Exact Mass370.22
IUPAC Name7,7-dimethyl-5-propa-1,2-dienyl-2-(2-trimethylsilylethoxy)-2,3,4,4a,5,6,9,9a-octahydropyrano[2,3-c]oxepine-3,4-diol
SMILESC=C=CC1CC(C)(C)OCC2OC(OCC[Si](C)(C)C)C(O)C(O)C12
InChIInChI=1S/C19H34O5Si/c1-7-8-13-11-19(2,3)23-12-14-15(13)16(20)17(21)18(24-14)22-9-10-25(4,5)6/h8,13-18,20-21H,1,9-12H2,2-6H3
InChIKeyVVHOWOFTEXHDIU-UHFFFAOYSA-N
XLogP2.56
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.56
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 7,7-dimethyl-5-propa-1,2-dienyl-2-(2-trimethylsilylethoxy)-2,3,4,4a,5,6,9,9a-octahydropyrano[2,3-c]oxepine-3,4-diol 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 7,7-dimethyl-5-propa-1,2-dienyl-2-(2-trimethylsilylethoxy)-2,3,4,4a,5,6,9,9a-octahydropyrano[2,3-c]oxepine-3,4-diol?
The IUPAC name of 7,7-dimethyl-5-propa-1,2-dienyl-2-(2-trimethylsilylethoxy)-2,3,4,4a,5,6,9,9a-octahydropyrano[2,3-c]oxepine-3,4-diol (CID 88915103) is 7,7-dimethyl-5-propa-1,2-dienyl-2-(2-trimethylsilylethoxy)-2,3,4,4a,5,6,9,9a-octahydropyrano[2,3-c]oxepine-3,4-diol.
What is the SMILES notation for 7,7-dimethyl-5-propa-1,2-dienyl-2-(2-trimethylsilylethoxy)-2,3,4,4a,5,6,9,9a-octahydropyrano[2,3-c]oxepine-3,4-diol?
The canonical SMILES for 7,7-dimethyl-5-propa-1,2-dienyl-2-(2-trimethylsilylethoxy)-2,3,4,4a,5,6,9,9a-octahydropyrano[2,3-c]oxepine-3,4-diol is C=C=CC1CC(C)(C)OCC2OC(OCC[Si](C)(C)C)C(O)C(O)C12.
What is the InChIKey of 7,7-dimethyl-5-propa-1,2-dienyl-2-(2-trimethylsilylethoxy)-2,3,4,4a,5,6,9,9a-octahydropyrano[2,3-c]oxepine-3,4-diol?
The InChIKey is VVHOWOFTEXHDIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O5Si/c1-7-8-13-11-19(2,3)23-12-14-15(13)16(20)17(21)18(24-14)22-9-10-25(4,5)6/h8,13-18,20-21H,1,9-12H2,2-6H3.
What are the key properties of 7,7-dimethyl-5-propa-1,2-dienyl-2-(2-trimethylsilylethoxy)-2,3,4,4a,5,6,9,9a-octahydropyrano[2,3-c]oxepine-3,4-diol?
7,7-dimethyl-5-propa-1,2-dienyl-2-(2-trimethylsilylethoxy)-2,3,4,4a,5,6,9,9a-octahydropyrano[2,3-c]oxepine-3,4-diol has a molecular weight of 370.56 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-5-propa-1,2-dienyl-2-(2-trimethylsilylethoxy)-2,3,4,4a,5,6,9,9a-octahydropyrano[2,3-c]oxepine-3,4-diol is sourced from PubChem (CID 88915103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).