4-[tert-butyl(dimethyl)silyl]oxy-2-(1-hydroxyprop-2-enyl)-3-prop-2-enylcyclopent-2-en-1-one

C17H28O3Si — CID 70406982

IUPAC4-[tert-butyl(dimethyl)silyl]oxy-2-(1-hydroxyprop-2-enyl)-3-prop-2-enylcyclopent-2-en-1-one
SMILESC=CCC1=C(C(O)C=C)C(=O)CC1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H28O3Si/c1-8-10-12-15(20-21(6,7)17(3,4)5)11-14(19)16(12)13(18)9-2/h8-9,13,15,18H,1-2,10-11H2,3-7H3
InChIKeyAGOKCCZEIFHUJU-UHFFFAOYSA-N
MW308.49 g/mol
LogP3.77
Rot. Bonds6

About 4-[tert-butyl(dimethyl)silyl]oxy-2-(1-hydroxyprop-2-enyl)-3-prop-2-enylcyclopent-2-en-1-one

4-[tert-butyl(dimethyl)silyl]oxy-2-(1-hydroxyprop-2-enyl)-3-prop-2-enylcyclopent-2-en-1-one (PubChem CID 70406982) has the molecular formula C17H28O3Si and a molecular weight of 308.49 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-2-(1-hydroxyprop-2-enyl)-3-prop-2-enylcyclopent-2-en-1-one.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxy-2-(1-hydroxyprop-2-enyl)-3-prop-2-enylcyclopent-2-en-1-one
PubChem CID70406982
Molecular FormulaC17H28O3Si
Molecular Weight308.49 g/mol
Exact Mass308.18
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxy-2-(1-hydroxyprop-2-enyl)-3-prop-2-enylcyclopent-2-en-1-one
SMILESC=CCC1=C(C(O)C=C)C(=O)CC1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H28O3Si/c1-8-10-12-15(20-21(6,7)17(3,4)5)11-14(19)16(12)13(18)9-2/h8-9,13,15,18H,1-2,10-11H2,3-7H3
InChIKeyAGOKCCZEIFHUJU-UHFFFAOYSA-N
XLogP3.77
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.49
LogP ≤ 53.77
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 4-[tert-butyl(dimethyl)silyl]oxy-2-(1-hydroxyprop-2-enyl)-3-prop-2-enylcyclopent-2-en-1-one?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-2-(1-hydroxyprop-2-enyl)-3-prop-2-enylcyclopent-2-en-1-one (CID 70406982) is 4-[tert-butyl(dimethyl)silyl]oxy-2-(1-hydroxyprop-2-enyl)-3-prop-2-enylcyclopent-2-en-1-one.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-2-(1-hydroxyprop-2-enyl)-3-prop-2-enylcyclopent-2-en-1-one?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-2-(1-hydroxyprop-2-enyl)-3-prop-2-enylcyclopent-2-en-1-one is C=CCC1=C(C(O)C=C)C(=O)CC1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-2-(1-hydroxyprop-2-enyl)-3-prop-2-enylcyclopent-2-en-1-one?
The InChIKey is AGOKCCZEIFHUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O3Si/c1-8-10-12-15(20-21(6,7)17(3,4)5)11-14(19)16(12)13(18)9-2/h8-9,13,15,18H,1-2,10-11H2,3-7H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-2-(1-hydroxyprop-2-enyl)-3-prop-2-enylcyclopent-2-en-1-one?
4-[tert-butyl(dimethyl)silyl]oxy-2-(1-hydroxyprop-2-enyl)-3-prop-2-enylcyclopent-2-en-1-one has a molecular weight of 308.49 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]oxy-2-(1-hydroxyprop-2-enyl)-3-prop-2-enylcyclopent-2-en-1-one is sourced from PubChem (CID 70406982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).