[4-[(2S)-but-3-en-2-yl]oxy-4-ethenyl-2,2-dimethyl-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6-yl]methoxy-tert-butyl-diphenylsilane

C31H42O5Si — CID 134840366

IUPAC[4-[(2S)-but-3-en-2-yl]oxy-4-ethenyl-2,2-dimethyl-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6-yl]methoxy-tert-butyl-diphenylsilane
SMILESC=C[C@H](C)OC1(C=C)OC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC2OC(C)(C)OC21
InChIInChI=1S/C31H42O5Si/c1-9-23(3)33-31(10-2)28-27(35-30(7,8)36-28)21-24(34-31)22-32-37(29(4,5)6,25-17-13-11-14-18-25)26-19-15-12-16-20-26/h9-20,23-24,27-28H,1-2,21-22H2,3-8H3/t23-,24?,27?,28?,31?/m0/s1
InChIKeyFYSJGGRZGGNQKR-OUGDZUPBSA-N
MW522.76 g/mol
LogP5.35
Rot. Bonds9

About [4-[(2S)-but-3-en-2-yl]oxy-4-ethenyl-2,2-dimethyl-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6-yl]methoxy-tert-butyl-diphenylsilane

[4-[(2S)-but-3-en-2-yl]oxy-4-ethenyl-2,2-dimethyl-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6-yl]methoxy-tert-butyl-diphenylsilane (PubChem CID 134840366) has the molecular formula C31H42O5Si and a molecular weight of 522.76 g/mol. Its IUPAC name is [4-[(2S)-but-3-en-2-yl]oxy-4-ethenyl-2,2-dimethyl-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6-yl]methoxy-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[4-[(2S)-but-3-en-2-yl]oxy-4-ethenyl-2,2-dimethyl-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6-yl]methoxy-tert-butyl-diphenylsilane
PubChem CID134840366
Molecular FormulaC31H42O5Si
Molecular Weight522.76 g/mol
Exact Mass522.28
IUPAC Name[4-[(2S)-but-3-en-2-yl]oxy-4-ethenyl-2,2-dimethyl-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6-yl]methoxy-tert-butyl-diphenylsilane
SMILESC=C[C@H](C)OC1(C=C)OC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC2OC(C)(C)OC21
InChIInChI=1S/C31H42O5Si/c1-9-23(3)33-31(10-2)28-27(35-30(7,8)36-28)21-24(34-31)22-32-37(29(4,5)6,25-17-13-11-14-18-25)26-19-15-12-16-20-26/h9-20,23-24,27-28H,1-2,21-22H2,3-8H3/t23-,24?,27?,28?,31?/m0/s1
InChIKeyFYSJGGRZGGNQKR-OUGDZUPBSA-N
XLogP5.35
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.76
LogP ≤ 55.35
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 [4-[(2S)-but-3-en-2-yl]oxy-4-ethenyl-2,2-dimethyl-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6-yl]methoxy-tert-butyl-diphenylsilane?
The IUPAC name of [4-[(2S)-but-3-en-2-yl]oxy-4-ethenyl-2,2-dimethyl-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6-yl]methoxy-tert-butyl-diphenylsilane (CID 134840366) is [4-[(2S)-but-3-en-2-yl]oxy-4-ethenyl-2,2-dimethyl-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6-yl]methoxy-tert-butyl-diphenylsilane.
What is the SMILES notation for [4-[(2S)-but-3-en-2-yl]oxy-4-ethenyl-2,2-dimethyl-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6-yl]methoxy-tert-butyl-diphenylsilane?
The canonical SMILES for [4-[(2S)-but-3-en-2-yl]oxy-4-ethenyl-2,2-dimethyl-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6-yl]methoxy-tert-butyl-diphenylsilane is C=C[C@H](C)OC1(C=C)OC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC2OC(C)(C)OC21.
What is the InChIKey of [4-[(2S)-but-3-en-2-yl]oxy-4-ethenyl-2,2-dimethyl-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6-yl]methoxy-tert-butyl-diphenylsilane?
The InChIKey is FYSJGGRZGGNQKR-OUGDZUPBSA-N. The full InChI is InChI=1S/C31H42O5Si/c1-9-23(3)33-31(10-2)28-27(35-30(7,8)36-28)21-24(34-31)22-32-37(29(4,5)6,25-17-13-11-14-18-25)26-19-15-12-16-20-26/h9-20,23-24,27-28H,1-2,21-22H2,3-8H3/t23-,24?,27?,28?,31?/m0/s1.
What are the key properties of [4-[(2S)-but-3-en-2-yl]oxy-4-ethenyl-2,2-dimethyl-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6-yl]methoxy-tert-butyl-diphenylsilane?
[4-[(2S)-but-3-en-2-yl]oxy-4-ethenyl-2,2-dimethyl-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6-yl]methoxy-tert-butyl-diphenylsilane has a molecular weight of 522.76 g/mol, XLogP of 5.35, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2S)-but-3-en-2-yl]oxy-4-ethenyl-2,2-dimethyl-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6-yl]methoxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 134840366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).