1-[5-[tert-butyl(dimethyl)silyl]oxy-2-(1-hydroxyethyl)cyclopenten-1-yl]propan-1-ol

C16H32O3Si — CID 11594599

IUPAC1-[5-[tert-butyl(dimethyl)silyl]oxy-2-(1-hydroxyethyl)cyclopenten-1-yl]propan-1-ol
SMILESCCC(O)C1=C(C(C)O)CCC1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O3Si/c1-8-13(18)15-12(11(2)17)9-10-14(15)19-20(6,7)16(3,4)5/h11,13-14,17-18H,8-10H2,1-7H3
InChIKeyUITNKXRENYBUHO-UHFFFAOYSA-N
MW300.52 g/mol
LogP3.62
Rot. Bonds5

About 1-[5-[tert-butyl(dimethyl)silyl]oxy-2-(1-hydroxyethyl)cyclopenten-1-yl]propan-1-ol

1-[5-[tert-butyl(dimethyl)silyl]oxy-2-(1-hydroxyethyl)cyclopenten-1-yl]propan-1-ol (PubChem CID 11594599) has the molecular formula C16H32O3Si and a molecular weight of 300.52 g/mol. Its IUPAC name is 1-[5-[tert-butyl(dimethyl)silyl]oxy-2-(1-hydroxyethyl)cyclopenten-1-yl]propan-1-ol.

Molecular Properties

Compound Name1-[5-[tert-butyl(dimethyl)silyl]oxy-2-(1-hydroxyethyl)cyclopenten-1-yl]propan-1-ol
PubChem CID11594599
Molecular FormulaC16H32O3Si
Molecular Weight300.52 g/mol
Exact Mass300.21
IUPAC Name1-[5-[tert-butyl(dimethyl)silyl]oxy-2-(1-hydroxyethyl)cyclopenten-1-yl]propan-1-ol
SMILESCCC(O)C1=C(C(C)O)CCC1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O3Si/c1-8-13(18)15-12(11(2)17)9-10-14(15)19-20(6,7)16(3,4)5/h11,13-14,17-18H,8-10H2,1-7H3
InChIKeyUITNKXRENYBUHO-UHFFFAOYSA-N
XLogP3.62
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.52
LogP ≤ 53.62
H-Bond Donors ≤ 52
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-[5-[tert-butyl(dimethyl)silyl]oxy-2-(1-hydroxyethyl)cyclopenten-1-yl]propan-1-ol?
The IUPAC name of 1-[5-[tert-butyl(dimethyl)silyl]oxy-2-(1-hydroxyethyl)cyclopenten-1-yl]propan-1-ol (CID 11594599) is 1-[5-[tert-butyl(dimethyl)silyl]oxy-2-(1-hydroxyethyl)cyclopenten-1-yl]propan-1-ol.
What is the SMILES notation for 1-[5-[tert-butyl(dimethyl)silyl]oxy-2-(1-hydroxyethyl)cyclopenten-1-yl]propan-1-ol?
The canonical SMILES for 1-[5-[tert-butyl(dimethyl)silyl]oxy-2-(1-hydroxyethyl)cyclopenten-1-yl]propan-1-ol is CCC(O)C1=C(C(C)O)CCC1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-[5-[tert-butyl(dimethyl)silyl]oxy-2-(1-hydroxyethyl)cyclopenten-1-yl]propan-1-ol?
The InChIKey is UITNKXRENYBUHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O3Si/c1-8-13(18)15-12(11(2)17)9-10-14(15)19-20(6,7)16(3,4)5/h11,13-14,17-18H,8-10H2,1-7H3.
What are the key properties of 1-[5-[tert-butyl(dimethyl)silyl]oxy-2-(1-hydroxyethyl)cyclopenten-1-yl]propan-1-ol?
1-[5-[tert-butyl(dimethyl)silyl]oxy-2-(1-hydroxyethyl)cyclopenten-1-yl]propan-1-ol has a molecular weight of 300.52 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[tert-butyl(dimethyl)silyl]oxy-2-(1-hydroxyethyl)cyclopenten-1-yl]propan-1-ol is sourced from PubChem (CID 11594599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).