tert-butyl-[[(2S,6R)-2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-prop-2-enyloxan-2-yl]methoxy]-diphenylsilane

C31H44O4Si — CID 177248761

IUPACtert-butyl-[[(2S,6R)-2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-prop-2-enyloxan-2-yl]methoxy]-diphenylsilane
SMILESC=CC[C@H]1CCC[C@@](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)(C[C@@H]2COC(C)(C)O2)O1
InChIInChI=1S/C31H44O4Si/c1-7-15-25-16-14-21-31(35-25,22-26-23-32-30(5,6)34-26)24-33-36(29(2,3)4,27-17-10-8-11-18-27)28-19-12-9-13-20-28/h7-13,17-20,25-26H,1,14-16,21-24H2,2-6H3/t25-,26+,31-/m0/s1
InChIKeyHTVIPPZHJHSBTQ-HEHLMWRFSA-N
MW508.78 g/mol
LogP5.99
Rot. Bonds9

About tert-butyl-[[(2S,6R)-2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-prop-2-enyloxan-2-yl]methoxy]-diphenylsilane

tert-butyl-[[(2S,6R)-2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-prop-2-enyloxan-2-yl]methoxy]-diphenylsilane (PubChem CID 177248761) has the molecular formula C31H44O4Si and a molecular weight of 508.78 g/mol. Its IUPAC name is tert-butyl-[[(2S,6R)-2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-prop-2-enyloxan-2-yl]methoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[[(2S,6R)-2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-prop-2-enyloxan-2-yl]methoxy]-diphenylsilane
PubChem CID177248761
Molecular FormulaC31H44O4Si
Molecular Weight508.78 g/mol
Exact Mass508.30
IUPAC Nametert-butyl-[[(2S,6R)-2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-prop-2-enyloxan-2-yl]methoxy]-diphenylsilane
SMILESC=CC[C@H]1CCC[C@@](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)(C[C@@H]2COC(C)(C)O2)O1
InChIInChI=1S/C31H44O4Si/c1-7-15-25-16-14-21-31(35-25,22-26-23-32-30(5,6)34-26)24-33-36(29(2,3)4,27-17-10-8-11-18-27)28-19-12-9-13-20-28/h7-13,17-20,25-26H,1,14-16,21-24H2,2-6H3/t25-,26+,31-/m0/s1
InChIKeyHTVIPPZHJHSBTQ-HEHLMWRFSA-N
XLogP5.99
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.78
LogP ≤ 55.99
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'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(2S,6R)-2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-prop-2-enyloxan-2-yl]methoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[[(2S,6R)-2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-prop-2-enyloxan-2-yl]methoxy]-diphenylsilane (CID 177248761) is tert-butyl-[[(2S,6R)-2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-prop-2-enyloxan-2-yl]methoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[[(2S,6R)-2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-prop-2-enyloxan-2-yl]methoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[[(2S,6R)-2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-prop-2-enyloxan-2-yl]methoxy]-diphenylsilane is C=CC[C@H]1CCC[C@@](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)(C[C@@H]2COC(C)(C)O2)O1.
What is the InChIKey of tert-butyl-[[(2S,6R)-2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-prop-2-enyloxan-2-yl]methoxy]-diphenylsilane?
The InChIKey is HTVIPPZHJHSBTQ-HEHLMWRFSA-N. The full InChI is InChI=1S/C31H44O4Si/c1-7-15-25-16-14-21-31(35-25,22-26-23-32-30(5,6)34-26)24-33-36(29(2,3)4,27-17-10-8-11-18-27)28-19-12-9-13-20-28/h7-13,17-20,25-26H,1,14-16,21-24H2,2-6H3/t25-,26+,31-/m0/s1.
What are the key properties of tert-butyl-[[(2S,6R)-2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-prop-2-enyloxan-2-yl]methoxy]-diphenylsilane?
tert-butyl-[[(2S,6R)-2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-prop-2-enyloxan-2-yl]methoxy]-diphenylsilane has a molecular weight of 508.78 g/mol, XLogP of 5.99, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(2S,6R)-2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-prop-2-enyloxan-2-yl]methoxy]-diphenylsilane is sourced from PubChem (CID 177248761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).