tert-butyl-[[(2R,4S,5S,8S,9S)-9-ethenyl-8-(methoxymethoxymethyl)-4,8-dimethyl-1-oxaspiro[4.4]nonan-2-yl]methoxy]-diphenylsilane

C32H46O4Si — CID 162403379

IUPACtert-butyl-[[(2R,4S,5S,8S,9S)-9-ethenyl-8-(methoxymethoxymethyl)-4,8-dimethyl-1-oxaspiro[4.4]nonan-2-yl]methoxy]-diphenylsilane
SMILESC=C[C@H]1[C@@](C)(COCOC)CC[C@@]12O[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C[C@@H]2C
InChIInChI=1S/C32H46O4Si/c1-8-29-31(6,23-34-24-33-7)19-20-32(29)25(2)21-26(36-32)22-35-37(30(3,4)5,27-15-11-9-12-16-27)28-17-13-10-14-18-28/h8-18,25-26,29H,1,19-24H2,2-7H3/t25-,26+,29-,31+,32-/m0/s1
InChIKeyPHOIWAGCAMHYBJ-NEGUADISSA-N
MW522.80 g/mol
LogP5.95
Rot. Bonds10

About tert-butyl-[[(2R,4S,5S,8S,9S)-9-ethenyl-8-(methoxymethoxymethyl)-4,8-dimethyl-1-oxaspiro[4.4]nonan-2-yl]methoxy]-diphenylsilane

tert-butyl-[[(2R,4S,5S,8S,9S)-9-ethenyl-8-(methoxymethoxymethyl)-4,8-dimethyl-1-oxaspiro[4.4]nonan-2-yl]methoxy]-diphenylsilane (PubChem CID 162403379) has the molecular formula C32H46O4Si and a molecular weight of 522.80 g/mol. Its IUPAC name is tert-butyl-[[(2R,4S,5S,8S,9S)-9-ethenyl-8-(methoxymethoxymethyl)-4,8-dimethyl-1-oxaspiro[4.4]nonan-2-yl]methoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[[(2R,4S,5S,8S,9S)-9-ethenyl-8-(methoxymethoxymethyl)-4,8-dimethyl-1-oxaspiro[4.4]nonan-2-yl]methoxy]-diphenylsilane
PubChem CID162403379
Molecular FormulaC32H46O4Si
Molecular Weight522.80 g/mol
Exact Mass522.32
IUPAC Nametert-butyl-[[(2R,4S,5S,8S,9S)-9-ethenyl-8-(methoxymethoxymethyl)-4,8-dimethyl-1-oxaspiro[4.4]nonan-2-yl]methoxy]-diphenylsilane
SMILESC=C[C@H]1[C@@](C)(COCOC)CC[C@@]12O[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C[C@@H]2C
InChIInChI=1S/C32H46O4Si/c1-8-29-31(6,23-34-24-33-7)19-20-32(29)25(2)21-26(36-32)22-35-37(30(3,4)5,27-15-11-9-12-16-27)28-17-13-10-14-18-28/h8-18,25-26,29H,1,19-24H2,2-7H3/t25-,26+,29-,31+,32-/m0/s1
InChIKeyPHOIWAGCAMHYBJ-NEGUADISSA-N
XLogP5.95
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.80
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', '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-[[(2R,4S,5S,8S,9S)-9-ethenyl-8-(methoxymethoxymethyl)-4,8-dimethyl-1-oxaspiro[4.4]nonan-2-yl]methoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[[(2R,4S,5S,8S,9S)-9-ethenyl-8-(methoxymethoxymethyl)-4,8-dimethyl-1-oxaspiro[4.4]nonan-2-yl]methoxy]-diphenylsilane (CID 162403379) is tert-butyl-[[(2R,4S,5S,8S,9S)-9-ethenyl-8-(methoxymethoxymethyl)-4,8-dimethyl-1-oxaspiro[4.4]nonan-2-yl]methoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[[(2R,4S,5S,8S,9S)-9-ethenyl-8-(methoxymethoxymethyl)-4,8-dimethyl-1-oxaspiro[4.4]nonan-2-yl]methoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[[(2R,4S,5S,8S,9S)-9-ethenyl-8-(methoxymethoxymethyl)-4,8-dimethyl-1-oxaspiro[4.4]nonan-2-yl]methoxy]-diphenylsilane is C=C[C@H]1[C@@](C)(COCOC)CC[C@@]12O[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C[C@@H]2C.
What is the InChIKey of tert-butyl-[[(2R,4S,5S,8S,9S)-9-ethenyl-8-(methoxymethoxymethyl)-4,8-dimethyl-1-oxaspiro[4.4]nonan-2-yl]methoxy]-diphenylsilane?
The InChIKey is PHOIWAGCAMHYBJ-NEGUADISSA-N. The full InChI is InChI=1S/C32H46O4Si/c1-8-29-31(6,23-34-24-33-7)19-20-32(29)25(2)21-26(36-32)22-35-37(30(3,4)5,27-15-11-9-12-16-27)28-17-13-10-14-18-28/h8-18,25-26,29H,1,19-24H2,2-7H3/t25-,26+,29-,31+,32-/m0/s1.
What are the key properties of tert-butyl-[[(2R,4S,5S,8S,9S)-9-ethenyl-8-(methoxymethoxymethyl)-4,8-dimethyl-1-oxaspiro[4.4]nonan-2-yl]methoxy]-diphenylsilane?
tert-butyl-[[(2R,4S,5S,8S,9S)-9-ethenyl-8-(methoxymethoxymethyl)-4,8-dimethyl-1-oxaspiro[4.4]nonan-2-yl]methoxy]-diphenylsilane has a molecular weight of 522.80 g/mol, XLogP of 5.95, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(2R,4S,5S,8S,9S)-9-ethenyl-8-(methoxymethoxymethyl)-4,8-dimethyl-1-oxaspiro[4.4]nonan-2-yl]methoxy]-diphenylsilane is sourced from PubChem (CID 162403379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).