[(Z,4S)-4-[tert-butyl(diphenyl)silyl]oxypent-2-enyl] methyl carbonate

C23H30O4Si — CID 101376664

IUPAC[(Z,4S)-4-[tert-butyl(diphenyl)silyl]oxypent-2-enyl] methyl carbonate
SMILESCOC(=O)OC/C=C\[C@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C23H30O4Si/c1-19(13-12-18-26-22(24)25-5)27-28(23(2,3)4,20-14-8-6-9-15-20)21-16-10-7-11-17-21/h6-17,19H,18H2,1-5H3/b13-12-/t19-/m0/s1
InChIKeyGOSFCMLMDAFIRH-HSNDNRACSA-N
MW398.58 g/mol
LogP4.29
Rot. Bonds7

About [(Z,4S)-4-[tert-butyl(diphenyl)silyl]oxypent-2-enyl] methyl carbonate

[(Z,4S)-4-[tert-butyl(diphenyl)silyl]oxypent-2-enyl] methyl carbonate (PubChem CID 101376664) has the molecular formula C23H30O4Si and a molecular weight of 398.58 g/mol. Its IUPAC name is [(Z,4S)-4-[tert-butyl(diphenyl)silyl]oxypent-2-enyl] methyl carbonate.

Molecular Properties

Compound Name[(Z,4S)-4-[tert-butyl(diphenyl)silyl]oxypent-2-enyl] methyl carbonate
PubChem CID101376664
Molecular FormulaC23H30O4Si
Molecular Weight398.58 g/mol
Exact Mass398.19
IUPAC Name[(Z,4S)-4-[tert-butyl(diphenyl)silyl]oxypent-2-enyl] methyl carbonate
SMILESCOC(=O)OC/C=C\[C@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C23H30O4Si/c1-19(13-12-18-26-22(24)25-5)27-28(23(2,3)4,20-14-8-6-9-15-20)21-16-10-7-11-17-21/h6-17,19H,18H2,1-5H3/b13-12-/t19-/m0/s1
InChIKeyGOSFCMLMDAFIRH-HSNDNRACSA-N
XLogP4.29
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.58
LogP ≤ 54.29
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 [(Z,4S)-4-[tert-butyl(diphenyl)silyl]oxypent-2-enyl] methyl carbonate?
The IUPAC name of [(Z,4S)-4-[tert-butyl(diphenyl)silyl]oxypent-2-enyl] methyl carbonate (CID 101376664) is [(Z,4S)-4-[tert-butyl(diphenyl)silyl]oxypent-2-enyl] methyl carbonate.
What is the SMILES notation for [(Z,4S)-4-[tert-butyl(diphenyl)silyl]oxypent-2-enyl] methyl carbonate?
The canonical SMILES for [(Z,4S)-4-[tert-butyl(diphenyl)silyl]oxypent-2-enyl] methyl carbonate is COC(=O)OC/C=C\[C@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of [(Z,4S)-4-[tert-butyl(diphenyl)silyl]oxypent-2-enyl] methyl carbonate?
The InChIKey is GOSFCMLMDAFIRH-HSNDNRACSA-N. The full InChI is InChI=1S/C23H30O4Si/c1-19(13-12-18-26-22(24)25-5)27-28(23(2,3)4,20-14-8-6-9-15-20)21-16-10-7-11-17-21/h6-17,19H,18H2,1-5H3/b13-12-/t19-/m0/s1.
What are the key properties of [(Z,4S)-4-[tert-butyl(diphenyl)silyl]oxypent-2-enyl] methyl carbonate?
[(Z,4S)-4-[tert-butyl(diphenyl)silyl]oxypent-2-enyl] methyl carbonate has a molecular weight of 398.58 g/mol, XLogP of 4.29, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z,4S)-4-[tert-butyl(diphenyl)silyl]oxypent-2-enyl] methyl carbonate is sourced from PubChem (CID 101376664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).