(Z)-1-hydroxy-1-methoxy-3-oxo-3-(3-trimethylsilylprop-2-ynoxy)prop-1-ene-2-diazonium

C10H15N2O4Si+ — CID 10912080

IUPAC(Z)-1-hydroxy-1-methoxy-3-oxo-3-(3-trimethylsilylprop-2-ynoxy)prop-1-ene-2-diazonium
SMILESCO/C(O)=C(\[N+]#N)C(=O)OCC#C[Si](C)(C)C
InChIInChI=1S/C10H14N2O4Si/c1-15-9(13)8(12-11)10(14)16-6-5-7-17(2,3)4/h6H2,1-4H3/p+1
InChIKeyOYUPPTUEGZHBIU-UHFFFAOYSA-O
MW255.33 g/mol
LogP1.64
Rot. Bonds3

About (Z)-1-hydroxy-1-methoxy-3-oxo-3-(3-trimethylsilylprop-2-ynoxy)prop-1-ene-2-diazonium

(Z)-1-hydroxy-1-methoxy-3-oxo-3-(3-trimethylsilylprop-2-ynoxy)prop-1-ene-2-diazonium (PubChem CID 10912080) has the molecular formula C10H15N2O4Si+ and a molecular weight of 255.33 g/mol. Its IUPAC name is (Z)-1-hydroxy-1-methoxy-3-oxo-3-(3-trimethylsilylprop-2-ynoxy)prop-1-ene-2-diazonium.

Molecular Properties

Compound Name(Z)-1-hydroxy-1-methoxy-3-oxo-3-(3-trimethylsilylprop-2-ynoxy)prop-1-ene-2-diazonium
PubChem CID10912080
Molecular FormulaC10H15N2O4Si+
Molecular Weight255.33 g/mol
Exact Mass255.08
IUPAC Name(Z)-1-hydroxy-1-methoxy-3-oxo-3-(3-trimethylsilylprop-2-ynoxy)prop-1-ene-2-diazonium
SMILESCO/C(O)=C(\[N+]#N)C(=O)OCC#C[Si](C)(C)C
InChIInChI=1S/C10H14N2O4Si/c1-15-9(13)8(12-11)10(14)16-6-5-7-17(2,3)4/h6H2,1-4H3/p+1
InChIKeyOYUPPTUEGZHBIU-UHFFFAOYSA-O
XLogP1.64
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.33
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Azo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(Z)-1-hydroxy-1-methoxy-3-(4-methoxy-4-oxobut-2-ynoxy)-3-oxoprop-1-ene-2-diazonium
CID 11096708
3-trimethylsilylprop-2-ynyl 2-fluoroprop-2-enoate
CID 149346214
(E)-3-hydroxy-1-(2-methoxy-2-oxoethoxy)-1-oxobut-2-ene-2-diazonium
CID 54683704
1-O-pent-4-enyl 3-O-(3-trimethylsilylprop-2-ynyl) 2-diazopropanedioate
CID 73084435
3-trimethylsilylprop-2-ynyl 2-[2-(4-bromophenyl)ethenylidene]pentanoate
CID 102323359
tert-butyl N-(3-trimethylsilylprop-2-ynoxy)carbamate
CID 11276581
3-trimethylsilylprop-2-ynyl 2-(2-phenylethenylidene)pentanoate
CID 102323356
3-trimethylsilylprop-2-ynyl 2-benzyl-4-phenylbuta-2,3-dienoate
CID 102323358
methyl (E)-3-methyl-6-trimethylsilylhex-2-en-5-ynoate
CID 11805971
(Z)-3-[acetyl(methyl)amino]-1-hydroxy-1-methoxy-3-oxoprop-1-ene-2-diazonium
CID 11790186
5-trimethylsilylpent-4-yn-2-one
CID 12685334
(Z)-1-[(E)-but-2-enoxy]-1-hydroxy-3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-ene-2-diazonium
CID 10082998

Frequently Asked Questions

What is the IUPAC name of (Z)-1-hydroxy-1-methoxy-3-oxo-3-(3-trimethylsilylprop-2-ynoxy)prop-1-ene-2-diazonium?
The IUPAC name of (Z)-1-hydroxy-1-methoxy-3-oxo-3-(3-trimethylsilylprop-2-ynoxy)prop-1-ene-2-diazonium (CID 10912080) is (Z)-1-hydroxy-1-methoxy-3-oxo-3-(3-trimethylsilylprop-2-ynoxy)prop-1-ene-2-diazonium.
What is the SMILES notation for (Z)-1-hydroxy-1-methoxy-3-oxo-3-(3-trimethylsilylprop-2-ynoxy)prop-1-ene-2-diazonium?
The canonical SMILES for (Z)-1-hydroxy-1-methoxy-3-oxo-3-(3-trimethylsilylprop-2-ynoxy)prop-1-ene-2-diazonium is CO/C(O)=C(\[N+]#N)C(=O)OCC#C[Si](C)(C)C.
What is the InChIKey of (Z)-1-hydroxy-1-methoxy-3-oxo-3-(3-trimethylsilylprop-2-ynoxy)prop-1-ene-2-diazonium?
The InChIKey is OYUPPTUEGZHBIU-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H14N2O4Si/c1-15-9(13)8(12-11)10(14)16-6-5-7-17(2,3)4/h6H2,1-4H3/p+1.
What are the key properties of (Z)-1-hydroxy-1-methoxy-3-oxo-3-(3-trimethylsilylprop-2-ynoxy)prop-1-ene-2-diazonium?
(Z)-1-hydroxy-1-methoxy-3-oxo-3-(3-trimethylsilylprop-2-ynoxy)prop-1-ene-2-diazonium has a molecular weight of 255.33 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-hydroxy-1-methoxy-3-oxo-3-(3-trimethylsilylprop-2-ynoxy)prop-1-ene-2-diazonium is sourced from PubChem (CID 10912080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).