4-[tert-butyl(dimethyl)silyl]oxy-5-[(2-methylpropan-2-yl)oxy]-3-[(E)-prop-1-enyl]cyclopent-2-en-1-one

C18H32O3Si — CID 142677766

IUPAC4-[tert-butyl(dimethyl)silyl]oxy-5-[(2-methylpropan-2-yl)oxy]-3-[(E)-prop-1-enyl]cyclopent-2-en-1-one
SMILESC/C=C/C1=CC(=O)C(OC(C)(C)C)C1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H32O3Si/c1-10-11-13-12-14(19)16(20-17(2,3)4)15(13)21-22(8,9)18(5,6)7/h10-12,15-16H,1-9H3/b11-10+
InChIKeyUEKTWVYJLHLSLH-ZHACJKMWSA-N
MW324.54 g/mol
LogP4.65
Rot. Bonds4

About 4-[tert-butyl(dimethyl)silyl]oxy-5-[(2-methylpropan-2-yl)oxy]-3-[(E)-prop-1-enyl]cyclopent-2-en-1-one

4-[tert-butyl(dimethyl)silyl]oxy-5-[(2-methylpropan-2-yl)oxy]-3-[(E)-prop-1-enyl]cyclopent-2-en-1-one (PubChem CID 142677766) has the molecular formula C18H32O3Si and a molecular weight of 324.54 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-5-[(2-methylpropan-2-yl)oxy]-3-[(E)-prop-1-enyl]cyclopent-2-en-1-one.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxy-5-[(2-methylpropan-2-yl)oxy]-3-[(E)-prop-1-enyl]cyclopent-2-en-1-one
PubChem CID142677766
Molecular FormulaC18H32O3Si
Molecular Weight324.54 g/mol
Exact Mass324.21
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxy-5-[(2-methylpropan-2-yl)oxy]-3-[(E)-prop-1-enyl]cyclopent-2-en-1-one
SMILESC/C=C/C1=CC(=O)C(OC(C)(C)C)C1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H32O3Si/c1-10-11-13-12-14(19)16(20-17(2,3)4)15(13)21-22(8,9)18(5,6)7/h10-12,15-16H,1-9H3/b11-10+
InChIKeyUEKTWVYJLHLSLH-ZHACJKMWSA-N
XLogP4.65
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.54
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-5-[(2-methylpropan-2-yl)oxy]-3-[(E)-prop-1-enyl]cyclopent-2-en-1-one?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-5-[(2-methylpropan-2-yl)oxy]-3-[(E)-prop-1-enyl]cyclopent-2-en-1-one (CID 142677766) is 4-[tert-butyl(dimethyl)silyl]oxy-5-[(2-methylpropan-2-yl)oxy]-3-[(E)-prop-1-enyl]cyclopent-2-en-1-one.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-5-[(2-methylpropan-2-yl)oxy]-3-[(E)-prop-1-enyl]cyclopent-2-en-1-one?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-5-[(2-methylpropan-2-yl)oxy]-3-[(E)-prop-1-enyl]cyclopent-2-en-1-one is C/C=C/C1=CC(=O)C(OC(C)(C)C)C1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-5-[(2-methylpropan-2-yl)oxy]-3-[(E)-prop-1-enyl]cyclopent-2-en-1-one?
The InChIKey is UEKTWVYJLHLSLH-ZHACJKMWSA-N. The full InChI is InChI=1S/C18H32O3Si/c1-10-11-13-12-14(19)16(20-17(2,3)4)15(13)21-22(8,9)18(5,6)7/h10-12,15-16H,1-9H3/b11-10+.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-5-[(2-methylpropan-2-yl)oxy]-3-[(E)-prop-1-enyl]cyclopent-2-en-1-one?
4-[tert-butyl(dimethyl)silyl]oxy-5-[(2-methylpropan-2-yl)oxy]-3-[(E)-prop-1-enyl]cyclopent-2-en-1-one has a molecular weight of 324.54 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]oxy-5-[(2-methylpropan-2-yl)oxy]-3-[(E)-prop-1-enyl]cyclopent-2-en-1-one is sourced from PubChem (CID 142677766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).