1-[4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclopenten-1-yl]ethanol

C19H40O3Si2 — CID 19000646

IUPAC1-[4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclopenten-1-yl]ethanol
SMILESCC(O)C1=CCC(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H40O3Si2/c1-14(20)15-12-13-16(21-23(8,9)18(2,3)4)17(15)22-24(10,11)19(5,6)7/h12,14,16-17,20H,13H2,1-11H3
InChIKeyBLBRGSGUUZVJSI-UHFFFAOYSA-N
MW372.70 g/mol
LogP5.48
Rot. Bonds5

About 1-[4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclopenten-1-yl]ethanol

1-[4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclopenten-1-yl]ethanol (PubChem CID 19000646) has the molecular formula C19H40O3Si2 and a molecular weight of 372.70 g/mol. Its IUPAC name is 1-[4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclopenten-1-yl]ethanol.

Molecular Properties

Compound Name1-[4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclopenten-1-yl]ethanol
PubChem CID19000646
Molecular FormulaC19H40O3Si2
Molecular Weight372.70 g/mol
Exact Mass372.25
IUPAC Name1-[4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclopenten-1-yl]ethanol
SMILESCC(O)C1=CCC(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H40O3Si2/c1-14(20)15-12-13-16(21-23(8,9)18(2,3)4)17(15)22-24(10,11)19(5,6)7/h12,14,16-17,20H,13H2,1-11H3
InChIKeyBLBRGSGUUZVJSI-UHFFFAOYSA-N
XLogP5.48
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.70
LogP ≤ 55.48
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 1-[4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclopenten-1-yl]ethanol?
The IUPAC name of 1-[4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclopenten-1-yl]ethanol (CID 19000646) is 1-[4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclopenten-1-yl]ethanol.
What is the SMILES notation for 1-[4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclopenten-1-yl]ethanol?
The canonical SMILES for 1-[4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclopenten-1-yl]ethanol is CC(O)C1=CCC(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-[4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclopenten-1-yl]ethanol?
The InChIKey is BLBRGSGUUZVJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40O3Si2/c1-14(20)15-12-13-16(21-23(8,9)18(2,3)4)17(15)22-24(10,11)19(5,6)7/h12,14,16-17,20H,13H2,1-11H3.
What are the key properties of 1-[4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclopenten-1-yl]ethanol?
1-[4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclopenten-1-yl]ethanol has a molecular weight of 372.70 g/mol, XLogP of 5.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclopenten-1-yl]ethanol is sourced from PubChem (CID 19000646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).