tert-butyl-[(5-ethenyl-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl)methoxy]-diphenylsilane

C33H40O5Si — CID 67360139

IUPACtert-butyl-[(5-ethenyl-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl)methoxy]-diphenylsilane
SMILESC=CC1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC2OC(C)(C)OC2C1OCc1ccccc1
InChIInChI=1S/C33H40O5Si/c1-7-33(29(34-23-25-17-11-8-12-18-25)28-30(38-33)37-32(5,6)36-28)24-35-39(31(2,3)4,26-19-13-9-14-20-26)27-21-15-10-16-22-27/h7-22,28-30H,1,23-24H2,2-6H3
InChIKeyPSXCAIWBFQCBKG-UHFFFAOYSA-N
MW544.76 g/mol
LogP5.58
Rot. Bonds9

About tert-butyl-[(5-ethenyl-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl)methoxy]-diphenylsilane

tert-butyl-[(5-ethenyl-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl)methoxy]-diphenylsilane (PubChem CID 67360139) has the molecular formula C33H40O5Si and a molecular weight of 544.76 g/mol. Its IUPAC name is tert-butyl-[(5-ethenyl-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl)methoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(5-ethenyl-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl)methoxy]-diphenylsilane
PubChem CID67360139
Molecular FormulaC33H40O5Si
Molecular Weight544.76 g/mol
Exact Mass544.26
IUPAC Nametert-butyl-[(5-ethenyl-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl)methoxy]-diphenylsilane
SMILESC=CC1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC2OC(C)(C)OC2C1OCc1ccccc1
InChIInChI=1S/C33H40O5Si/c1-7-33(29(34-23-25-17-11-8-12-18-25)28-30(38-33)37-32(5,6)36-28)24-35-39(31(2,3)4,26-19-13-9-14-20-26)27-21-15-10-16-22-27/h7-22,28-30H,1,23-24H2,2-6H3
InChIKeyPSXCAIWBFQCBKG-UHFFFAOYSA-N
XLogP5.58
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.76
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(5-ethenyl-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl)methoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[(5-ethenyl-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl)methoxy]-diphenylsilane (CID 67360139) is tert-butyl-[(5-ethenyl-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl)methoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[(5-ethenyl-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl)methoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[(5-ethenyl-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl)methoxy]-diphenylsilane is C=CC1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC2OC(C)(C)OC2C1OCc1ccccc1.
What is the InChIKey of tert-butyl-[(5-ethenyl-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl)methoxy]-diphenylsilane?
The InChIKey is PSXCAIWBFQCBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H40O5Si/c1-7-33(29(34-23-25-17-11-8-12-18-25)28-30(38-33)37-32(5,6)36-28)24-35-39(31(2,3)4,26-19-13-9-14-20-26)27-21-15-10-16-22-27/h7-22,28-30H,1,23-24H2,2-6H3.
What are the key properties of tert-butyl-[(5-ethenyl-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl)methoxy]-diphenylsilane?
tert-butyl-[(5-ethenyl-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl)methoxy]-diphenylsilane has a molecular weight of 544.76 g/mol, XLogP of 5.58, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(5-ethenyl-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl)methoxy]-diphenylsilane is sourced from PubChem (CID 67360139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).