tert-butyl-[[(8R,9R)-8-methoxy-1,4-dioxaspiro[4.4]non-6-en-9-yl]methoxy]-diphenylsilane

C25H32O4Si — CID 102574885

IUPACtert-butyl-[[(8R,9R)-8-methoxy-1,4-dioxaspiro[4.4]non-6-en-9-yl]methoxy]-diphenylsilane
SMILESCO[C@@H]1C=CC2(OCCO2)[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H32O4Si/c1-24(2,3)30(20-11-7-5-8-12-20,21-13-9-6-10-14-21)29-19-22-23(26-4)15-16-25(22)27-17-18-28-25/h5-16,22-23H,17-19H2,1-4H3/t22-,23-/m1/s1
InChIKeyWITNJTWJDJTHOY-DHIUTWEWSA-N
MW424.61 g/mol
LogP3.51
Rot. Bonds6

About tert-butyl-[[(8R,9R)-8-methoxy-1,4-dioxaspiro[4.4]non-6-en-9-yl]methoxy]-diphenylsilane

tert-butyl-[[(8R,9R)-8-methoxy-1,4-dioxaspiro[4.4]non-6-en-9-yl]methoxy]-diphenylsilane (PubChem CID 102574885) has the molecular formula C25H32O4Si and a molecular weight of 424.61 g/mol. Its IUPAC name is tert-butyl-[[(8R,9R)-8-methoxy-1,4-dioxaspiro[4.4]non-6-en-9-yl]methoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[[(8R,9R)-8-methoxy-1,4-dioxaspiro[4.4]non-6-en-9-yl]methoxy]-diphenylsilane
PubChem CID102574885
Molecular FormulaC25H32O4Si
Molecular Weight424.61 g/mol
Exact Mass424.21
IUPAC Nametert-butyl-[[(8R,9R)-8-methoxy-1,4-dioxaspiro[4.4]non-6-en-9-yl]methoxy]-diphenylsilane
SMILESCO[C@@H]1C=CC2(OCCO2)[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H32O4Si/c1-24(2,3)30(20-11-7-5-8-12-20,21-13-9-6-10-14-21)29-19-22-23(26-4)15-16-25(22)27-17-18-28-25/h5-16,22-23H,17-19H2,1-4H3/t22-,23-/m1/s1
InChIKeyWITNJTWJDJTHOY-DHIUTWEWSA-N
XLogP3.51
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.61
LogP ≤ 53.51
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-[[(8R,9R)-8-methoxy-1,4-dioxaspiro[4.4]non-6-en-9-yl]methoxy]-diphenylsilane with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl-[[(1S,2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,3-dimethoxycyclobutyl]methoxy]-diphenylsilane
CID 158489976
[(1R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-difluorocyclopropyl]methanol
CID 58682742
[(2S,3S,5R,6R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methanol
CID 91510832
[(2S,3R,5R)-4-acetyloxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(hydroxymethyl)oxolan-3-yl] acetate
CID 58592657
tert-butyl-[[(3R,4R)-4-methoxyoxolan-3-yl]methoxy]-diphenylsilane
CID 67077747
[(2R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]methanol
CID 10981523
[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-dioxolan-2-yl] acetate
CID 67792078
tert-butyl-[[(2S)-2-methyloxiran-2-yl]methoxy]-diphenylsilane
CID 11290341
cis-(1R,2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropane-1-carbaldehyde;cis-(1S,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropane-1-carbaldehyde
CID 162119958
(2R,3R,4S,5R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxyoxane-3,4,5-triol
CID 11059112
(2S,3R,4R,5S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxyoxane-3,4,5-triol
CID 124925214
2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxyoxane-3,4,5-triol
CID 3319542

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(8R,9R)-8-methoxy-1,4-dioxaspiro[4.4]non-6-en-9-yl]methoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[[(8R,9R)-8-methoxy-1,4-dioxaspiro[4.4]non-6-en-9-yl]methoxy]-diphenylsilane (CID 102574885) is tert-butyl-[[(8R,9R)-8-methoxy-1,4-dioxaspiro[4.4]non-6-en-9-yl]methoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[[(8R,9R)-8-methoxy-1,4-dioxaspiro[4.4]non-6-en-9-yl]methoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[[(8R,9R)-8-methoxy-1,4-dioxaspiro[4.4]non-6-en-9-yl]methoxy]-diphenylsilane is CO[C@@H]1C=CC2(OCCO2)[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl-[[(8R,9R)-8-methoxy-1,4-dioxaspiro[4.4]non-6-en-9-yl]methoxy]-diphenylsilane?
The InChIKey is WITNJTWJDJTHOY-DHIUTWEWSA-N. The full InChI is InChI=1S/C25H32O4Si/c1-24(2,3)30(20-11-7-5-8-12-20,21-13-9-6-10-14-21)29-19-22-23(26-4)15-16-25(22)27-17-18-28-25/h5-16,22-23H,17-19H2,1-4H3/t22-,23-/m1/s1.
What are the key properties of tert-butyl-[[(8R,9R)-8-methoxy-1,4-dioxaspiro[4.4]non-6-en-9-yl]methoxy]-diphenylsilane?
tert-butyl-[[(8R,9R)-8-methoxy-1,4-dioxaspiro[4.4]non-6-en-9-yl]methoxy]-diphenylsilane has a molecular weight of 424.61 g/mol, XLogP of 3.51, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(8R,9R)-8-methoxy-1,4-dioxaspiro[4.4]non-6-en-9-yl]methoxy]-diphenylsilane is sourced from PubChem (CID 102574885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).