[(E)-[(1S,2S,6S,7R,9R)-7-(1-ethoxyethoxy)-4,4-dimethyl-3,5,8-trioxatricyclo[7.3.0.02,6]dodecan-12-ylidene]methyl]-trimethylsilane

C19H34O5Si — CID 10044693

IUPAC[(E)-[(1S,2S,6S,7R,9R)-7-(1-ethoxyethoxy)-4,4-dimethyl-3,5,8-trioxatricyclo[7.3.0.02,6]dodecan-12-ylidene]methyl]-trimethylsilane
SMILESCCOC(C)O[C@H]1O[C@@H]2CC/C(=C\[Si](C)(C)C)[C@@H]2[C@@H]2OC(C)(C)O[C@H]12
InChIInChI=1S/C19H34O5Si/c1-8-20-12(2)21-18-17-16(23-19(3,4)24-17)15-13(11-25(5,6)7)9-10-14(15)22-18/h11-12,14-18H,8-10H2,1-7H3/b13-11+/t12?,14-,15+,16+,17+,18+/m1/s1
InChIKeyLOLLLVTXWPMWOD-JTEIHXOXSA-N
MW370.56 g/mol
LogP3.84
Rot. Bonds5

About [(E)-[(1S,2S,6S,7R,9R)-7-(1-ethoxyethoxy)-4,4-dimethyl-3,5,8-trioxatricyclo[7.3.0.02,6]dodecan-12-ylidene]methyl]-trimethylsilane

[(E)-[(1S,2S,6S,7R,9R)-7-(1-ethoxyethoxy)-4,4-dimethyl-3,5,8-trioxatricyclo[7.3.0.02,6]dodecan-12-ylidene]methyl]-trimethylsilane (PubChem CID 10044693) has the molecular formula C19H34O5Si and a molecular weight of 370.56 g/mol. Its IUPAC name is [(E)-[(1S,2S,6S,7R,9R)-7-(1-ethoxyethoxy)-4,4-dimethyl-3,5,8-trioxatricyclo[7.3.0.02,6]dodecan-12-ylidene]methyl]-trimethylsilane.

Molecular Properties

Compound Name[(E)-[(1S,2S,6S,7R,9R)-7-(1-ethoxyethoxy)-4,4-dimethyl-3,5,8-trioxatricyclo[7.3.0.02,6]dodecan-12-ylidene]methyl]-trimethylsilane
PubChem CID10044693
Molecular FormulaC19H34O5Si
Molecular Weight370.56 g/mol
Exact Mass370.22
IUPAC Name[(E)-[(1S,2S,6S,7R,9R)-7-(1-ethoxyethoxy)-4,4-dimethyl-3,5,8-trioxatricyclo[7.3.0.02,6]dodecan-12-ylidene]methyl]-trimethylsilane
SMILESCCOC(C)O[C@H]1O[C@@H]2CC/C(=C\[Si](C)(C)C)[C@@H]2[C@@H]2OC(C)(C)O[C@H]12
InChIInChI=1S/C19H34O5Si/c1-8-20-12(2)21-18-17-16(23-19(3,4)24-17)15-13(11-25(5,6)7)9-10-14(15)22-18/h11-12,14-18H,8-10H2,1-7H3/b13-11+/t12?,14-,15+,16+,17+,18+/m1/s1
InChIKeyLOLLLVTXWPMWOD-JTEIHXOXSA-N
XLogP3.84
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.56
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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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-[2-[2-methylidene-5-(oxan-2-yloxy)cyclopentyl]ethoxy]silane
CID 123691678
[(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
[(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
[(Z)-[(2R,4aS,7aR)-2-(1-ethoxyethoxy)-3,4,4a,6,7,7a-hexahydro-2H-cyclopenta[b]pyran-5-ylidene]methyl]-trimethylsilane
CID 11781506
tert-butyl-[[(1R,2S,6R,9S)-3,12-dimethylidene-5,7,10-trioxatricyclo[7.3.0.02,6]dodecan-8-yl]methoxy]-dimethylsilane
CID 101687093
[(3aR,5S,7R)-5-ethoxy-3-methylidene-4,5,7,7a-tetrahydro-3aH-furo[2,3-c]pyran-7-yl]methoxy-tert-butyl-dimethylsilane
CID 101699556
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
[(3aR,4R,6S,7R,7aR)-4-[[(4S,5R)-5-heptyl-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-6-(2-methylprop-2-enyl)-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-tert-butyl-dimethylsilane
CID 102323750

Frequently Asked Questions

What is the IUPAC name of [(E)-[(1S,2S,6S,7R,9R)-7-(1-ethoxyethoxy)-4,4-dimethyl-3,5,8-trioxatricyclo[7.3.0.02,6]dodecan-12-ylidene]methyl]-trimethylsilane?
The IUPAC name of [(E)-[(1S,2S,6S,7R,9R)-7-(1-ethoxyethoxy)-4,4-dimethyl-3,5,8-trioxatricyclo[7.3.0.02,6]dodecan-12-ylidene]methyl]-trimethylsilane (CID 10044693) is [(E)-[(1S,2S,6S,7R,9R)-7-(1-ethoxyethoxy)-4,4-dimethyl-3,5,8-trioxatricyclo[7.3.0.02,6]dodecan-12-ylidene]methyl]-trimethylsilane.
What is the SMILES notation for [(E)-[(1S,2S,6S,7R,9R)-7-(1-ethoxyethoxy)-4,4-dimethyl-3,5,8-trioxatricyclo[7.3.0.02,6]dodecan-12-ylidene]methyl]-trimethylsilane?
The canonical SMILES for [(E)-[(1S,2S,6S,7R,9R)-7-(1-ethoxyethoxy)-4,4-dimethyl-3,5,8-trioxatricyclo[7.3.0.02,6]dodecan-12-ylidene]methyl]-trimethylsilane is CCOC(C)O[C@H]1O[C@@H]2CC/C(=C\[Si](C)(C)C)[C@@H]2[C@@H]2OC(C)(C)O[C@H]12.
What is the InChIKey of [(E)-[(1S,2S,6S,7R,9R)-7-(1-ethoxyethoxy)-4,4-dimethyl-3,5,8-trioxatricyclo[7.3.0.02,6]dodecan-12-ylidene]methyl]-trimethylsilane?
The InChIKey is LOLLLVTXWPMWOD-JTEIHXOXSA-N. The full InChI is InChI=1S/C19H34O5Si/c1-8-20-12(2)21-18-17-16(23-19(3,4)24-17)15-13(11-25(5,6)7)9-10-14(15)22-18/h11-12,14-18H,8-10H2,1-7H3/b13-11+/t12?,14-,15+,16+,17+,18+/m1/s1.
What are the key properties of [(E)-[(1S,2S,6S,7R,9R)-7-(1-ethoxyethoxy)-4,4-dimethyl-3,5,8-trioxatricyclo[7.3.0.02,6]dodecan-12-ylidene]methyl]-trimethylsilane?
[(E)-[(1S,2S,6S,7R,9R)-7-(1-ethoxyethoxy)-4,4-dimethyl-3,5,8-trioxatricyclo[7.3.0.02,6]dodecan-12-ylidene]methyl]-trimethylsilane has a molecular weight of 370.56 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[(1S,2S,6S,7R,9R)-7-(1-ethoxyethoxy)-4,4-dimethyl-3,5,8-trioxatricyclo[7.3.0.02,6]dodecan-12-ylidene]methyl]-trimethylsilane is sourced from PubChem (CID 10044693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).