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

C18H30O4Si — CID 102092268

IUPACtert-butyl-[[(1R,2R,6S,8R,9S)-3-ethenyl-12-methylidene-5,7,10-trioxatricyclo[7.3.0.02,6]dodecan-8-yl]oxy]-dimethylsilane
SMILESC=CC1CO[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/C18H30O4Si/c1-8-12-10-20-16-14(12)13-11(2)9-19-15(13)17(21-16)22-23(6,7)18(3,4)5/h8,12-17H,1-2,9-10H2,3-7H3/t12?,13-,14+,15-,16-,17+/m0/s1
InChIKeyHQVJZJGFSYADAU-HUESISHMSA-N
MW338.52 g/mol
LogP3.71
Rot. Bonds3

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

tert-butyl-[[(1R,2R,6S,8R,9S)-3-ethenyl-12-methylidene-5,7,10-trioxatricyclo[7.3.0.02,6]dodecan-8-yl]oxy]-dimethylsilane (PubChem CID 102092268) has the molecular formula C18H30O4Si and a molecular weight of 338.52 g/mol. Its IUPAC name is tert-butyl-[[(1R,2R,6S,8R,9S)-3-ethenyl-12-methylidene-5,7,10-trioxatricyclo[7.3.0.02,6]dodecan-8-yl]oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(1R,2R,6S,8R,9S)-3-ethenyl-12-methylidene-5,7,10-trioxatricyclo[7.3.0.02,6]dodecan-8-yl]oxy]-dimethylsilane
PubChem CID102092268
Molecular FormulaC18H30O4Si
Molecular Weight338.52 g/mol
Exact Mass338.19
IUPAC Nametert-butyl-[[(1R,2R,6S,8R,9S)-3-ethenyl-12-methylidene-5,7,10-trioxatricyclo[7.3.0.02,6]dodecan-8-yl]oxy]-dimethylsilane
SMILESC=CC1CO[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/C18H30O4Si/c1-8-12-10-20-16-14(12)13-11(2)9-19-15(13)17(21-16)22-23(6,7)18(3,4)5/h8,12-17H,1-2,9-10H2,3-7H3/t12?,13-,14+,15-,16-,17+/m0/s1
InChIKeyHQVJZJGFSYADAU-HUESISHMSA-N
XLogP3.71
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.52
LogP ≤ 53.71
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-[[(1R,2R,6S,8R,9S)-3-ethenyl-12-methylidene-5,7,10-trioxatricyclo[7.3.0.02,6]dodecan-8-yl]oxy]-dimethylsilane with MolForge

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

Launch Full Analysis

Related Compounds

tert-butyl-[[(1R,2S,6S,8R,9S)-3,12-dimethylidene-5,7,10-trioxatricyclo[7.3.0.02,6]dodecan-8-yl]methoxy]-dimethylsilane
CID 135003162
tert-butyl-dimethyl-[[(1S,7R,10S,12R,13R,14R)-2,9,11-trioxatetracyclo[5.5.2.04,13.010,14]tetradec-4-en-12-yl]methoxy]silane
CID 10497252
[(3aR,5S,7R,7aS)-5-ethoxy-3-methylidene-4,5,7,7a-tetrahydro-3aH-furo[2,3-c]pyran-7-yl]methoxy-tert-butyl-dimethylsilane
CID 10520351
tert-butyl-dimethyl-[[(1S,4S,7R,10S,12R,13S,14R)-2,9,11-trioxatetracyclo[5.5.2.04,13.010,14]tetradec-5-en-12-yl]methoxy]silane
CID 10521007
tert-butyl-[[(1R,2R,3S,6S,8R,9S)-3-ethenyl-12-methylidene-5,7,10-trioxatricyclo[7.3.0.02,6]dodecan-8-yl]methoxy]-dimethylsilane
CID 10594183
tert-butyl-dimethyl-[[(1S,4R,10S,12R,13S,14S)-2,9,11-trioxatetracyclo[5.5.2.04,13.010,14]tetradec-6-en-12-yl]methoxy]silane
CID 10712080
tert-butyl-dimethyl-[[(1S,10S,12R,13R,14S)-2,9,11-trioxatetracyclo[5.5.2.04,13.010,14]tetradeca-4,6-dien-12-yl]methoxy]silane
CID 10735626
[(3Z,3aR,5S,7R,7aS)-5-ethoxy-3-(tributylstannylmethylidene)-4,5,7,7a-tetrahydro-3aH-furo[2,3-c]pyran-7-yl]methoxy-tert-butyl-dimethylsilane
CID 10746394
[(3aR,5S,7R,7aS)-3-methylidene-5-(2-methylprop-2-enoxy)-4,5,7,7a-tetrahydro-3aH-furo[2,3-c]pyran-7-yl]methoxy-tert-butyl-dimethylsilane
CID 10784349
tert-butyl-dimethyl-[[(1R,2R,3R,6S,8R,9S)-12-methylidene-3-prop-1-en-2-yl-5,7,10-trioxatricyclo[7.3.0.02,6]dodecan-8-yl]methoxy]silane
CID 10785152
tert-butyl-[[(1R,2R,5R,6S,8S,10R)-5-ethenyl-3,9,11-trioxatricyclo[6.2.1.02,6]undecan-10-yl]methoxy]-dimethylsilane
CID 11381819
tert-butyl-[[(1S,2S,5S,6R,8R,10S)-5-ethenyl-3,9,11-trioxatricyclo[6.2.1.02,6]undecan-10-yl]methoxy]-dimethylsilane
CID 11416153

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(1R,2R,6S,8R,9S)-3-ethenyl-12-methylidene-5,7,10-trioxatricyclo[7.3.0.02,6]dodecan-8-yl]oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(1R,2R,6S,8R,9S)-3-ethenyl-12-methylidene-5,7,10-trioxatricyclo[7.3.0.02,6]dodecan-8-yl]oxy]-dimethylsilane (CID 102092268) is tert-butyl-[[(1R,2R,6S,8R,9S)-3-ethenyl-12-methylidene-5,7,10-trioxatricyclo[7.3.0.02,6]dodecan-8-yl]oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(1R,2R,6S,8R,9S)-3-ethenyl-12-methylidene-5,7,10-trioxatricyclo[7.3.0.02,6]dodecan-8-yl]oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(1R,2R,6S,8R,9S)-3-ethenyl-12-methylidene-5,7,10-trioxatricyclo[7.3.0.02,6]dodecan-8-yl]oxy]-dimethylsilane is C=CC1CO[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-[[(1R,2R,6S,8R,9S)-3-ethenyl-12-methylidene-5,7,10-trioxatricyclo[7.3.0.02,6]dodecan-8-yl]oxy]-dimethylsilane?
The InChIKey is HQVJZJGFSYADAU-HUESISHMSA-N. The full InChI is InChI=1S/C18H30O4Si/c1-8-12-10-20-16-14(12)13-11(2)9-19-15(13)17(21-16)22-23(6,7)18(3,4)5/h8,12-17H,1-2,9-10H2,3-7H3/t12?,13-,14+,15-,16-,17+/m0/s1.
What are the key properties of tert-butyl-[[(1R,2R,6S,8R,9S)-3-ethenyl-12-methylidene-5,7,10-trioxatricyclo[7.3.0.02,6]dodecan-8-yl]oxy]-dimethylsilane?
tert-butyl-[[(1R,2R,6S,8R,9S)-3-ethenyl-12-methylidene-5,7,10-trioxatricyclo[7.3.0.02,6]dodecan-8-yl]oxy]-dimethylsilane has a molecular weight of 338.52 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(1R,2R,6S,8R,9S)-3-ethenyl-12-methylidene-5,7,10-trioxatricyclo[7.3.0.02,6]dodecan-8-yl]oxy]-dimethylsilane is sourced from PubChem (CID 102092268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).