[(Z)-6-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]hex-4-enyl] [tert-butyl(dimethyl)silyl]formate

C24H44O4Si2 — CID 70589487

IUPAC[(Z)-6-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]hex-4-enyl] [tert-butyl(dimethyl)silyl]formate
SMILESCC(C)(C)[Si](C)(C)O[C@H]1C=C(C/C=C\CCCOC(=O)[Si](C)(C)C(C)(C)C)C(=O)C1
InChIInChI=1S/C24H44O4Si2/c1-23(2,3)29(7,8)22(26)27-16-14-12-11-13-15-19-17-20(18-21(19)25)28-30(9,10)24(4,5)6/h11,13,17,20H,12,14-16,18H2,1-10H3/b13-11-/t20-/m0/s1
InChIKeyMTUMLMRFEMYMIH-ZQGDAAQZSA-N
MW452.78 g/mol
LogP7.23
Rot. Bonds9

About [(Z)-6-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]hex-4-enyl] [tert-butyl(dimethyl)silyl]formate

[(Z)-6-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]hex-4-enyl] [tert-butyl(dimethyl)silyl]formate (PubChem CID 70589487) has the molecular formula C24H44O4Si2 and a molecular weight of 452.78 g/mol. Its IUPAC name is [(Z)-6-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]hex-4-enyl] [tert-butyl(dimethyl)silyl]formate.

Molecular Properties

Compound Name[(Z)-6-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]hex-4-enyl] [tert-butyl(dimethyl)silyl]formate
PubChem CID70589487
Molecular FormulaC24H44O4Si2
Molecular Weight452.78 g/mol
Exact Mass452.28
IUPAC Name[(Z)-6-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]hex-4-enyl] [tert-butyl(dimethyl)silyl]formate
SMILESCC(C)(C)[Si](C)(C)O[C@H]1C=C(C/C=C\CCCOC(=O)[Si](C)(C)C(C)(C)C)C(=O)C1
InChIInChI=1S/C24H44O4Si2/c1-23(2,3)29(7,8)22(26)27-16-14-12-11-13-15-19-17-20(18-21(19)25)28-30(9,10)24(4,5)6/h11,13,17,20H,12,14-16,18H2,1-10H3/b13-11-/t20-/m0/s1
InChIKeyMTUMLMRFEMYMIH-ZQGDAAQZSA-N
XLogP7.23
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.78
LogP ≤ 57.23
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(Z)-6-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]hex-4-enyl] [tert-butyl(dimethyl)silyl]formate?
The IUPAC name of [(Z)-6-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]hex-4-enyl] [tert-butyl(dimethyl)silyl]formate (CID 70589487) is [(Z)-6-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]hex-4-enyl] [tert-butyl(dimethyl)silyl]formate.
What is the SMILES notation for [(Z)-6-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]hex-4-enyl] [tert-butyl(dimethyl)silyl]formate?
The canonical SMILES for [(Z)-6-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]hex-4-enyl] [tert-butyl(dimethyl)silyl]formate is CC(C)(C)[Si](C)(C)O[C@H]1C=C(C/C=C\CCCOC(=O)[Si](C)(C)C(C)(C)C)C(=O)C1.
What is the InChIKey of [(Z)-6-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]hex-4-enyl] [tert-butyl(dimethyl)silyl]formate?
The InChIKey is MTUMLMRFEMYMIH-ZQGDAAQZSA-N. The full InChI is InChI=1S/C24H44O4Si2/c1-23(2,3)29(7,8)22(26)27-16-14-12-11-13-15-19-17-20(18-21(19)25)28-30(9,10)24(4,5)6/h11,13,17,20H,12,14-16,18H2,1-10H3/b13-11-/t20-/m0/s1.
What are the key properties of [(Z)-6-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]hex-4-enyl] [tert-butyl(dimethyl)silyl]formate?
[(Z)-6-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]hex-4-enyl] [tert-butyl(dimethyl)silyl]formate has a molecular weight of 452.78 g/mol, XLogP of 7.23, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-6-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]hex-4-enyl] [tert-butyl(dimethyl)silyl]formate is sourced from PubChem (CID 70589487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).