tert-butyl-dimethyl-[[(1R,2R,6S,8R,9S)-12-methylidene-3-prop-1-en-2-yl-5,7,10-trioxatricyclo[7.3.0.02,6]dodecan-8-yl]oxy]silane

C19H32O4Si — CID 102092269

IUPACtert-butyl-dimethyl-[[(1R,2R,6S,8R,9S)-12-methylidene-3-prop-1-en-2-yl-5,7,10-trioxatricyclo[7.3.0.02,6]dodecan-8-yl]oxy]silane
SMILESC=C(C)C1CO[C@H]2O[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3OCC(=C)[C@H]3[C@@H]12
InChIInChI=1S/C19H32O4Si/c1-11(2)13-10-21-17-15(13)14-12(3)9-20-16(14)18(22-17)23-24(7,8)19(4,5)6/h13-18H,1,3,9-10H2,2,4-8H3/t13?,14-,15+,16-,17-,18+/m0/s1
InChIKeyNJCYWYADLMFWPK-UUFBZVRBSA-N
MW352.55 g/mol
LogP4.10
Rot. Bonds3

About tert-butyl-dimethyl-[[(1R,2R,6S,8R,9S)-12-methylidene-3-prop-1-en-2-yl-5,7,10-trioxatricyclo[7.3.0.02,6]dodecan-8-yl]oxy]silane

tert-butyl-dimethyl-[[(1R,2R,6S,8R,9S)-12-methylidene-3-prop-1-en-2-yl-5,7,10-trioxatricyclo[7.3.0.02,6]dodecan-8-yl]oxy]silane (PubChem CID 102092269) has the molecular formula C19H32O4Si and a molecular weight of 352.55 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[(1R,2R,6S,8R,9S)-12-methylidene-3-prop-1-en-2-yl-5,7,10-trioxatricyclo[7.3.0.02,6]dodecan-8-yl]oxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[(1R,2R,6S,8R,9S)-12-methylidene-3-prop-1-en-2-yl-5,7,10-trioxatricyclo[7.3.0.02,6]dodecan-8-yl]oxy]silane
PubChem CID102092269
Molecular FormulaC19H32O4Si
Molecular Weight352.55 g/mol
Exact Mass352.21
IUPAC Nametert-butyl-dimethyl-[[(1R,2R,6S,8R,9S)-12-methylidene-3-prop-1-en-2-yl-5,7,10-trioxatricyclo[7.3.0.02,6]dodecan-8-yl]oxy]silane
SMILESC=C(C)C1CO[C@H]2O[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3OCC(=C)[C@H]3[C@@H]12
InChIInChI=1S/C19H32O4Si/c1-11(2)13-10-21-17-15(13)14-12(3)9-20-16(14)18(22-17)23-24(7,8)19(4,5)6/h13-18H,1,3,9-10H2,2,4-8H3/t13?,14-,15+,16-,17-,18+/m0/s1
InChIKeyNJCYWYADLMFWPK-UUFBZVRBSA-N
XLogP4.10
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.55
LogP ≤ 54.10
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 tert-butyl-dimethyl-[[(1R,2R,6S,8R,9S)-12-methylidene-3-prop-1-en-2-yl-5,7,10-trioxatricyclo[7.3.0.02,6]dodecan-8-yl]oxy]silane 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 tert-butyl-dimethyl-[[(1R,2R,6S,8R,9S)-12-methylidene-3-prop-1-en-2-yl-5,7,10-trioxatricyclo[7.3.0.02,6]dodecan-8-yl]oxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[(1R,2R,6S,8R,9S)-12-methylidene-3-prop-1-en-2-yl-5,7,10-trioxatricyclo[7.3.0.02,6]dodecan-8-yl]oxy]silane (CID 102092269) is tert-butyl-dimethyl-[[(1R,2R,6S,8R,9S)-12-methylidene-3-prop-1-en-2-yl-5,7,10-trioxatricyclo[7.3.0.02,6]dodecan-8-yl]oxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[(1R,2R,6S,8R,9S)-12-methylidene-3-prop-1-en-2-yl-5,7,10-trioxatricyclo[7.3.0.02,6]dodecan-8-yl]oxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[(1R,2R,6S,8R,9S)-12-methylidene-3-prop-1-en-2-yl-5,7,10-trioxatricyclo[7.3.0.02,6]dodecan-8-yl]oxy]silane is C=C(C)C1CO[C@H]2O[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3OCC(=C)[C@H]3[C@@H]12.
What is the InChIKey of tert-butyl-dimethyl-[[(1R,2R,6S,8R,9S)-12-methylidene-3-prop-1-en-2-yl-5,7,10-trioxatricyclo[7.3.0.02,6]dodecan-8-yl]oxy]silane?
The InChIKey is NJCYWYADLMFWPK-UUFBZVRBSA-N. The full InChI is InChI=1S/C19H32O4Si/c1-11(2)13-10-21-17-15(13)14-12(3)9-20-16(14)18(22-17)23-24(7,8)19(4,5)6/h13-18H,1,3,9-10H2,2,4-8H3/t13?,14-,15+,16-,17-,18+/m0/s1.
What are the key properties of tert-butyl-dimethyl-[[(1R,2R,6S,8R,9S)-12-methylidene-3-prop-1-en-2-yl-5,7,10-trioxatricyclo[7.3.0.02,6]dodecan-8-yl]oxy]silane?
tert-butyl-dimethyl-[[(1R,2R,6S,8R,9S)-12-methylidene-3-prop-1-en-2-yl-5,7,10-trioxatricyclo[7.3.0.02,6]dodecan-8-yl]oxy]silane has a molecular weight of 352.55 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[(1R,2R,6S,8R,9S)-12-methylidene-3-prop-1-en-2-yl-5,7,10-trioxatricyclo[7.3.0.02,6]dodecan-8-yl]oxy]silane is sourced from PubChem (CID 102092269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).