(1R,4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(hydroxymethyl)cyclopent-2-en-1-ol

C18H38O4Si2 — CID 11057858

IUPAC(1R,4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(hydroxymethyl)cyclopent-2-en-1-ol
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)C=C(CO)[C@H]1O
InChIInChI=1S/C18H38O4Si2/c1-17(2,3)23(7,8)21-14-11-13(12-19)15(20)16(14)22-24(9,10)18(4,5)6/h11,14-16,19-20H,12H2,1-10H3/t14-,15+,16+/m0/s1
InChIKeyZJFVJTRIVRGYCN-ARFHVFGLSA-N
MW374.67 g/mol
LogP4.06
Rot. Bonds5

About (1R,4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(hydroxymethyl)cyclopent-2-en-1-ol

(1R,4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(hydroxymethyl)cyclopent-2-en-1-ol (PubChem CID 11057858) has the molecular formula C18H38O4Si2 and a molecular weight of 374.67 g/mol. Its IUPAC name is (1R,4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(hydroxymethyl)cyclopent-2-en-1-ol.

Molecular Properties

Compound Name(1R,4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(hydroxymethyl)cyclopent-2-en-1-ol
PubChem CID11057858
Molecular FormulaC18H38O4Si2
Molecular Weight374.67 g/mol
Exact Mass374.23
IUPAC Name(1R,4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(hydroxymethyl)cyclopent-2-en-1-ol
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)C=C(CO)[C@H]1O
InChIInChI=1S/C18H38O4Si2/c1-17(2,3)23(7,8)21-14-11-13(12-19)15(20)16(14)22-24(9,10)18(4,5)6/h11,14-16,19-20H,12H2,1-10H3/t14-,15+,16+/m0/s1
InChIKeyZJFVJTRIVRGYCN-ARFHVFGLSA-N
XLogP4.06
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.67
LogP ≤ 54.06
H-Bond Donors ≤ 52
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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Related Compounds

(1S,4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-ol
CID 11696163
(1R,4R,5S,6S)-4,5,6-tris[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-ol
CID 11569387
2-[(3R,5R)-3,5-Bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]cyclohexylidene]ethanol
CID 10221782
2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylidenecyclohexylidene]ethanol
CID 11795195
(1S,4R,5S,6S)-4,5,6-tris[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-ol
CID 91998628
2-[(3S,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylidenecyclohexylidene]ethanol
CID 134880747
[(3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(hydroxymethyl)cyclopenten-1-yl]methanol
CID 154707119
2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-trimethylsilyloxycyclohexylidene]ethanol
CID 10073621
[(4R,6S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexen-1-yl]methanol
CID 14728050
1-[4,5-Bis[[tert-butyl(dimethyl)silyl]oxy]cyclopenten-1-yl]ethanol
CID 19000646
2-[3,5-Bis[[tert-butyl(dimethyl)silyl]oxy]-4-trimethylsilyloxycyclohexylidene]ethanol
CID 20614539
2-[3,5-Bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylidenecyclohexylidene]ethanol
CID 21941325

Frequently Asked Questions

What is the IUPAC name of (1R,4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(hydroxymethyl)cyclopent-2-en-1-ol?
The IUPAC name of (1R,4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(hydroxymethyl)cyclopent-2-en-1-ol (CID 11057858) is (1R,4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(hydroxymethyl)cyclopent-2-en-1-ol.
What is the SMILES notation for (1R,4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(hydroxymethyl)cyclopent-2-en-1-ol?
The canonical SMILES for (1R,4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(hydroxymethyl)cyclopent-2-en-1-ol is CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)C=C(CO)[C@H]1O.
What is the InChIKey of (1R,4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(hydroxymethyl)cyclopent-2-en-1-ol?
The InChIKey is ZJFVJTRIVRGYCN-ARFHVFGLSA-N. The full InChI is InChI=1S/C18H38O4Si2/c1-17(2,3)23(7,8)21-14-11-13(12-19)15(20)16(14)22-24(9,10)18(4,5)6/h11,14-16,19-20H,12H2,1-10H3/t14-,15+,16+/m0/s1.
What are the key properties of (1R,4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(hydroxymethyl)cyclopent-2-en-1-ol?
(1R,4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(hydroxymethyl)cyclopent-2-en-1-ol has a molecular weight of 374.67 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(hydroxymethyl)cyclopent-2-en-1-ol is sourced from PubChem (CID 11057858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).