2-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-enylcyclopent-2-en-1-ol

C14H26O2Si — CID 135044795

IUPAC2-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-enylcyclopent-2-en-1-ol
SMILESC=CCC1(O)CCC=C1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26O2Si/c1-7-10-14(15)11-8-9-12(14)16-17(5,6)13(2,3)4/h7,9,15H,1,8,10-11H2,2-6H3
InChIKeyKQDFCZRRZWNGNC-UHFFFAOYSA-N
MW254.45 g/mol
LogP3.99
Rot. Bonds4

About 2-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-enylcyclopent-2-en-1-ol

2-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-enylcyclopent-2-en-1-ol (PubChem CID 135044795) has the molecular formula C14H26O2Si and a molecular weight of 254.45 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-enylcyclopent-2-en-1-ol.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-enylcyclopent-2-en-1-ol
PubChem CID135044795
Molecular FormulaC14H26O2Si
Molecular Weight254.45 g/mol
Exact Mass254.17
IUPAC Name2-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-enylcyclopent-2-en-1-ol
SMILESC=CCC1(O)CCC=C1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26O2Si/c1-7-10-14(15)11-8-9-12(14)16-17(5,6)13(2,3)4/h7,9,15H,1,8,10-11H2,2-6H3
InChIKeyKQDFCZRRZWNGNC-UHFFFAOYSA-N
XLogP3.99
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.45
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-enylcyclopent-2-en-1-ol?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-enylcyclopent-2-en-1-ol (CID 135044795) is 2-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-enylcyclopent-2-en-1-ol.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-enylcyclopent-2-en-1-ol?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-enylcyclopent-2-en-1-ol is C=CCC1(O)CCC=C1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-enylcyclopent-2-en-1-ol?
The InChIKey is KQDFCZRRZWNGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2Si/c1-7-10-14(15)11-8-9-12(14)16-17(5,6)13(2,3)4/h7,9,15H,1,8,10-11H2,2-6H3.
What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-enylcyclopent-2-en-1-ol?
2-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-enylcyclopent-2-en-1-ol has a molecular weight of 254.45 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-enylcyclopent-2-en-1-ol is sourced from PubChem (CID 135044795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).