[(1R,2R,6S,7S)-4,4-dimethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undec-8-en-9-yl]oxy-tri(propan-2-yl)silane

C19H34O4Si — CID 11002735

IUPAC[(1R,2R,6S,7S)-4,4-dimethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undec-8-en-9-yl]oxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](OC1=C[C@@H]2O[C@H](C1)[C@H]1OC(C)(C)O[C@H]12)(C(C)C)C(C)C
InChIInChI=1S/C19H34O4Si/c1-11(2)24(12(3)4,13(5)6)23-14-9-15-17-18(16(10-14)20-15)22-19(7,8)21-17/h9,11-13,15-18H,10H2,1-8H3/t15-,16+,17-,18+/m0/s1
InChIKeyZEUVYHUMNUPFKH-XWTMOSNGSA-N
MW354.56 g/mol
LogP4.75
Rot. Bonds5

About [(1R,2R,6S,7S)-4,4-dimethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undec-8-en-9-yl]oxy-tri(propan-2-yl)silane

[(1R,2R,6S,7S)-4,4-dimethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undec-8-en-9-yl]oxy-tri(propan-2-yl)silane (PubChem CID 11002735) has the molecular formula C19H34O4Si and a molecular weight of 354.56 g/mol. Its IUPAC name is [(1R,2R,6S,7S)-4,4-dimethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undec-8-en-9-yl]oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(1R,2R,6S,7S)-4,4-dimethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undec-8-en-9-yl]oxy-tri(propan-2-yl)silane
PubChem CID11002735
Molecular FormulaC19H34O4Si
Molecular Weight354.56 g/mol
Exact Mass354.22
IUPAC Name[(1R,2R,6S,7S)-4,4-dimethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undec-8-en-9-yl]oxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](OC1=C[C@@H]2O[C@H](C1)[C@H]1OC(C)(C)O[C@H]12)(C(C)C)C(C)C
InChIInChI=1S/C19H34O4Si/c1-11(2)24(12(3)4,13(5)6)23-14-9-15-17-18(16(10-14)20-15)22-19(7,8)21-17/h9,11-13,15-18H,10H2,1-8H3/t15-,16+,17-,18+/m0/s1
InChIKeyZEUVYHUMNUPFKH-XWTMOSNGSA-N
XLogP4.75
TPSA36.92 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 ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(1R,2R,6S,7S)-4,4-dimethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undec-8-en-9-yl]oxy-tri(propan-2-yl)silane with MolForge

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Related Compounds

[(1R,2R,6S,7S)-4,4-dimethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undec-8-en-9-yl]oxy-trimethylsilane
CID 10423282
[(3'aR,5R,6'R,6'aR)-4-ethenyl-2',2'-dimethylspiro[2H-furan-5,4'-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole]-6'-yl]methoxy-tert-butyl-dimethylsilane
CID 46928637
[(2R)-2-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3,6-dihydro-2H-pyran-6-yl]oxy-tert-butyl-dimethylsilane
CID 134973116
tert-butyl-[(Z,1S)-1-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]hex-3-enoxy]-dimethylsilane
CID 10251246
tert-butyl-[(Z,1R)-1-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]non-3-enoxy]-dimethylsilane
CID 10983342
[(3aR,6S,6aS)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-yl] acetate
CID 10642029
tert-butyl-[[(1R,2S,6R,7S)-7-methoxy-1,4,4-trimethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undec-8-en-9-yl]oxy]-dimethylsilane
CID 10861214
trimethyl-[[(1S,2S,6S,7S,10S)-2,4,4,7,10-pentamethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undec-8-en-8-yl]oxy]silane
CID 10990608
tert-butyl-[[(1S,2R,6S,7R)-1-methoxy-4,4,7-trimethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undec-8-en-9-yl]oxy]-dimethylsilane
CID 11046511
tert-butyl-[(E,1S)-1-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-enoxy]-dimethylsilane
CID 11384037
tert-butyl-[[(1S,2S,5Z,9S,10R,14R)-12,12-dimethyl-8,11,13,15-tetraoxatricyclo[7.6.0.010,14]pentadec-5-en-2-yl]oxy]-dimethylsilane
CID 11485534
tert-butyl-dimethyl-[[(1'S,5'S,6'R)-spiro[1,3-dioxolane-2,2'-8-oxabicyclo[3.2.1]oct-3-ene]-6'-yl]methoxy]silane
CID 11580450

Frequently Asked Questions

What is the IUPAC name of [(1R,2R,6S,7S)-4,4-dimethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undec-8-en-9-yl]oxy-tri(propan-2-yl)silane?
The IUPAC name of [(1R,2R,6S,7S)-4,4-dimethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undec-8-en-9-yl]oxy-tri(propan-2-yl)silane (CID 11002735) is [(1R,2R,6S,7S)-4,4-dimethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undec-8-en-9-yl]oxy-tri(propan-2-yl)silane.
What is the SMILES notation for [(1R,2R,6S,7S)-4,4-dimethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undec-8-en-9-yl]oxy-tri(propan-2-yl)silane?
The canonical SMILES for [(1R,2R,6S,7S)-4,4-dimethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undec-8-en-9-yl]oxy-tri(propan-2-yl)silane is CC(C)[Si](OC1=C[C@@H]2O[C@H](C1)[C@H]1OC(C)(C)O[C@H]12)(C(C)C)C(C)C.
What is the InChIKey of [(1R,2R,6S,7S)-4,4-dimethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undec-8-en-9-yl]oxy-tri(propan-2-yl)silane?
The InChIKey is ZEUVYHUMNUPFKH-XWTMOSNGSA-N. The full InChI is InChI=1S/C19H34O4Si/c1-11(2)24(12(3)4,13(5)6)23-14-9-15-17-18(16(10-14)20-15)22-19(7,8)21-17/h9,11-13,15-18H,10H2,1-8H3/t15-,16+,17-,18+/m0/s1.
What are the key properties of [(1R,2R,6S,7S)-4,4-dimethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undec-8-en-9-yl]oxy-tri(propan-2-yl)silane?
[(1R,2R,6S,7S)-4,4-dimethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undec-8-en-9-yl]oxy-tri(propan-2-yl)silane has a molecular weight of 354.56 g/mol, XLogP of 4.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R,6S,7S)-4,4-dimethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undec-8-en-9-yl]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 11002735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).