(E)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-1-phenylhept-2-en-1-one

C19H30O3Si — CID 132520727

IUPAC(E)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-1-phenylhept-2-en-1-one
SMILESCC(C)(C)[Si](C)(C)OCCC(O)C/C=C/C(=O)c1ccccc1
InChIInChI=1S/C19H30O3Si/c1-19(2,3)23(4,5)22-15-14-17(20)12-9-13-18(21)16-10-7-6-8-11-16/h6-11,13,17,20H,12,14-15H2,1-5H3/b13-9+
InChIKeyUBQJIBXRBZNNQL-UKTHLTGXSA-N
MW334.53 g/mol
LogP4.59
Rot. Bonds8

About (E)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-1-phenylhept-2-en-1-one

(E)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-1-phenylhept-2-en-1-one (PubChem CID 132520727) has the molecular formula C19H30O3Si and a molecular weight of 334.53 g/mol. Its IUPAC name is (E)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-1-phenylhept-2-en-1-one.

Molecular Properties

Compound Name(E)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-1-phenylhept-2-en-1-one
PubChem CID132520727
Molecular FormulaC19H30O3Si
Molecular Weight334.53 g/mol
Exact Mass334.20
IUPAC Name(E)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-1-phenylhept-2-en-1-one
SMILESCC(C)(C)[Si](C)(C)OCCC(O)C/C=C/C(=O)c1ccccc1
InChIInChI=1S/C19H30O3Si/c1-19(2,3)23(4,5)22-15-14-17(20)12-9-13-18(21)16-10-7-6-8-11-16/h6-11,13,17,20H,12,14-15H2,1-5H3/b13-9+
InChIKeyUBQJIBXRBZNNQL-UKTHLTGXSA-N
XLogP4.59
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.53
LogP ≤ 54.59
H-Bond Donors ≤ 51
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

(Z,5R)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-ene-1,5-diol
CID 53255144
[5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxypentyl] benzoate
CID 175572844
1-[tert-butyl(dimethyl)silyl]oxyhex-5-en-3-yl benzoate
CID 168819463
(2R)-4-[tert-butyl(dimethyl)silyl]oxy-1-phenylbutane-1,2-diol
CID 175760972
(1R,2S,3R)-5-[tert-butyl(dimethyl)silyl]oxy-1-phenylpentane-1,2,3-triol
CID 10853609
N-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enoyl]benzamide
CID 11324648
N-[(Z)-5-[tert-butyl(dimethyl)silyl]oxypent-1-enyl]benzamide
CID 154719744
benzoic acid;1-[tert-butyl(dimethyl)silyl]oxy-3-octadecoxypropan-2-ol
CID 175428188
(E,3S)-1-[tert-butyl(diphenyl)silyl]oxy-7-iodohept-6-en-3-ol
CID 155931189
(Z)-1-phenylpent-2-en-1-one
CID 91998885
4-[4-[tert-butyl(dimethyl)silyl]oxybutan-2-yloxymethyl]benzoic acid
CID 68630096
6-[tert-butyl(dimethyl)silyl]oxy-1-phenylhex-3-yne-1,2-dione
CID 135028614

Frequently Asked Questions

What is the IUPAC name of (E)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-1-phenylhept-2-en-1-one?
The IUPAC name of (E)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-1-phenylhept-2-en-1-one (CID 132520727) is (E)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-1-phenylhept-2-en-1-one.
What is the SMILES notation for (E)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-1-phenylhept-2-en-1-one?
The canonical SMILES for (E)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-1-phenylhept-2-en-1-one is CC(C)(C)[Si](C)(C)OCCC(O)C/C=C/C(=O)c1ccccc1.
What is the InChIKey of (E)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-1-phenylhept-2-en-1-one?
The InChIKey is UBQJIBXRBZNNQL-UKTHLTGXSA-N. The full InChI is InChI=1S/C19H30O3Si/c1-19(2,3)23(4,5)22-15-14-17(20)12-9-13-18(21)16-10-7-6-8-11-16/h6-11,13,17,20H,12,14-15H2,1-5H3/b13-9+.
What are the key properties of (E)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-1-phenylhept-2-en-1-one?
(E)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-1-phenylhept-2-en-1-one has a molecular weight of 334.53 g/mol, XLogP of 4.59, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-1-phenylhept-2-en-1-one is sourced from PubChem (CID 132520727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).