(3E)-3-[2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethylidene]oxolan-2-one

C18H26O3Si — CID 102079562

IUPAC(3E)-3-[2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethylidene]oxolan-2-one
SMILESCC(C)(C)[Si](C)(C)OC(/C=C1\CCOC1=O)c1ccccc1
InChIInChI=1S/C18H26O3Si/c1-18(2,3)22(4,5)21-16(14-9-7-6-8-10-14)13-15-11-12-20-17(15)19/h6-10,13,16H,11-12H2,1-5H3/b15-13+
InChIKeyJUFLAAZTWQZZIL-FYWRMAATSA-N
MW318.49 g/mol
LogP4.62
Rot. Bonds4

About (3E)-3-[2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethylidene]oxolan-2-one

(3E)-3-[2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethylidene]oxolan-2-one (PubChem CID 102079562) has the molecular formula C18H26O3Si and a molecular weight of 318.49 g/mol. Its IUPAC name is (3E)-3-[2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethylidene]oxolan-2-one.

Molecular Properties

Compound Name(3E)-3-[2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethylidene]oxolan-2-one
PubChem CID102079562
Molecular FormulaC18H26O3Si
Molecular Weight318.49 g/mol
Exact Mass318.17
IUPAC Name(3E)-3-[2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethylidene]oxolan-2-one
SMILESCC(C)(C)[Si](C)(C)OC(/C=C1\CCOC1=O)c1ccccc1
InChIInChI=1S/C18H26O3Si/c1-18(2,3)22(4,5)21-16(14-9-7-6-8-10-14)13-15-11-12-20-17(15)19/h6-10,13,16H,11-12H2,1-5H3/b15-13+
InChIKeyJUFLAAZTWQZZIL-FYWRMAATSA-N
XLogP4.62
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.49
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-[(E,1S)-4-methoxy-1,4-diphenylbut-2-enoxy]-dimethylsilane
CID 101242327
tert-butyl-dimethyl-[(1R,2E)-1-phenylpenta-2,4-dienoxy]silane
CID 100919695
(2S,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(E)-3-[tert-butyl(dimethyl)silyl]oxy-3-phenylprop-1-enyl]-2-methylcyclopentan-1-one
CID 11271463
tert-butyl-(3,3-dibromo-1-phenylpropoxy)-dimethylsilane
CID 15262613
tert-butyl-dimethyl-[(3S)-4-phenylpent-1-en-3-yl]oxysilane
CID 154488375
2-[tert-butyl(dimethyl)silyl]oxy-2-(3-fluorophenyl)acetaldehyde
CID 90002770
tert-butyl-dimethyl-(1-phenylbut-3-enoxy)silane
CID 11230810
1-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]piperidine-2,3-dione
CID 15438068
(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-phenylpentanal
CID 53259150
1-[tert-butyl(dimethyl)silyl]oxy-1-phenylbut-3-en-2-amine
CID 66693822
methyl (2S,3R,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-oxo-3-phenylpentanoate
CID 11046348
(5R,7S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-7-phenylheptanal
CID 11419569

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethylidene]oxolan-2-one?
The IUPAC name of (3E)-3-[2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethylidene]oxolan-2-one (CID 102079562) is (3E)-3-[2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethylidene]oxolan-2-one.
What is the SMILES notation for (3E)-3-[2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethylidene]oxolan-2-one?
The canonical SMILES for (3E)-3-[2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethylidene]oxolan-2-one is CC(C)(C)[Si](C)(C)OC(/C=C1\CCOC1=O)c1ccccc1.
What is the InChIKey of (3E)-3-[2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethylidene]oxolan-2-one?
The InChIKey is JUFLAAZTWQZZIL-FYWRMAATSA-N. The full InChI is InChI=1S/C18H26O3Si/c1-18(2,3)22(4,5)21-16(14-9-7-6-8-10-14)13-15-11-12-20-17(15)19/h6-10,13,16H,11-12H2,1-5H3/b15-13+.
What are the key properties of (3E)-3-[2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethylidene]oxolan-2-one?
(3E)-3-[2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethylidene]oxolan-2-one has a molecular weight of 318.49 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethylidene]oxolan-2-one is sourced from PubChem (CID 102079562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).