3-[(1R,5S)-2-[3-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylbutyl]-5-triethylsilyloxycyclopent-2-en-1-yl]propan-1-ol

C30H60O3Si2 — CID 18636591

IUPAC3-[(1R,5S)-2-[3-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylbutyl]-5-triethylsilyloxycyclopent-2-en-1-yl]propan-1-ol
SMILESCC[Si](CC)(CC)O[C@H]1CC=C(CCC(C)(O[Si](C)(C)C(C)(C)C)C2CCCCC2)[C@H]1CCCO
InChIInChI=1S/C30H60O3Si2/c1-10-35(11-2,12-3)32-28-21-20-25(27(28)19-16-24-31)22-23-30(7,26-17-14-13-15-18-26)33-34(8,9)29(4,5)6/h20,26-28,31H,10-19,21-24H2,1-9H3/t27-,28+,30?/m1/s1
InChIKeyFWRPLOQVSUXGAG-FBMPGHKGSA-N
MW524.98 g/mol
LogP9.24
Rot. Bonds14

About 3-[(1R,5S)-2-[3-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylbutyl]-5-triethylsilyloxycyclopent-2-en-1-yl]propan-1-ol

3-[(1R,5S)-2-[3-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylbutyl]-5-triethylsilyloxycyclopent-2-en-1-yl]propan-1-ol (PubChem CID 18636591) has the molecular formula C30H60O3Si2 and a molecular weight of 524.98 g/mol. Its IUPAC name is 3-[(1R,5S)-2-[3-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylbutyl]-5-triethylsilyloxycyclopent-2-en-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[(1R,5S)-2-[3-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylbutyl]-5-triethylsilyloxycyclopent-2-en-1-yl]propan-1-ol
PubChem CID18636591
Molecular FormulaC30H60O3Si2
Molecular Weight524.98 g/mol
Exact Mass524.41
IUPAC Name3-[(1R,5S)-2-[3-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylbutyl]-5-triethylsilyloxycyclopent-2-en-1-yl]propan-1-ol
SMILESCC[Si](CC)(CC)O[C@H]1CC=C(CCC(C)(O[Si](C)(C)C(C)(C)C)C2CCCCC2)[C@H]1CCCO
InChIInChI=1S/C30H60O3Si2/c1-10-35(11-2,12-3)32-28-21-20-25(27(28)19-16-24-31)22-23-30(7,26-17-14-13-15-18-26)33-34(8,9)29(4,5)6/h20,26-28,31H,10-19,21-24H2,1-9H3/t27-,28+,30?/m1/s1
InChIKeyFWRPLOQVSUXGAG-FBMPGHKGSA-N
XLogP9.24
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.98
LogP ≤ 59.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 3-[(1R,5S)-2-[3-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylbutyl]-5-triethylsilyloxycyclopent-2-en-1-yl]propan-1-ol?
The IUPAC name of 3-[(1R,5S)-2-[3-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylbutyl]-5-triethylsilyloxycyclopent-2-en-1-yl]propan-1-ol (CID 18636591) is 3-[(1R,5S)-2-[3-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylbutyl]-5-triethylsilyloxycyclopent-2-en-1-yl]propan-1-ol.
What is the SMILES notation for 3-[(1R,5S)-2-[3-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylbutyl]-5-triethylsilyloxycyclopent-2-en-1-yl]propan-1-ol?
The canonical SMILES for 3-[(1R,5S)-2-[3-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylbutyl]-5-triethylsilyloxycyclopent-2-en-1-yl]propan-1-ol is CC[Si](CC)(CC)O[C@H]1CC=C(CCC(C)(O[Si](C)(C)C(C)(C)C)C2CCCCC2)[C@H]1CCCO.
What is the InChIKey of 3-[(1R,5S)-2-[3-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylbutyl]-5-triethylsilyloxycyclopent-2-en-1-yl]propan-1-ol?
The InChIKey is FWRPLOQVSUXGAG-FBMPGHKGSA-N. The full InChI is InChI=1S/C30H60O3Si2/c1-10-35(11-2,12-3)32-28-21-20-25(27(28)19-16-24-31)22-23-30(7,26-17-14-13-15-18-26)33-34(8,9)29(4,5)6/h20,26-28,31H,10-19,21-24H2,1-9H3/t27-,28+,30?/m1/s1.
What are the key properties of 3-[(1R,5S)-2-[3-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylbutyl]-5-triethylsilyloxycyclopent-2-en-1-yl]propan-1-ol?
3-[(1R,5S)-2-[3-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylbutyl]-5-triethylsilyloxycyclopent-2-en-1-yl]propan-1-ol has a molecular weight of 524.98 g/mol, XLogP of 9.24, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R,5S)-2-[3-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylbutyl]-5-triethylsilyloxycyclopent-2-en-1-yl]propan-1-ol is sourced from PubChem (CID 18636591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).