(Z)-but-2-enedioic acid;bis(trimethoxy(2-pyridin-2-ylethyl)silane)

C24H38N2O10Si2 — CID 173055339

IUPAC(Z)-but-2-enedioic acid;bis(trimethoxy(2-pyridin-2-ylethyl)silane)
SMILESCO[Si](CCc1ccccn1)(OC)OC.CO[Si](CCc1ccccn1)(OC)OC.O=C(O)/C=C\C(=O)O
InChIInChI=1S/2C10H17NO3Si.C4H4O4/c2*1-12-15(13-2,14-3)9-7-10-6-4-5-8-11-10;5-3(6)1-2-4(7)8/h2*4-6,8H,7,9H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;;2-1-
InChIKeyPLNPEAFYERMYFJ-KSBRXOFISA-N
MW570.74 g/mol
LogP2.72
Rot. Bonds14

About (Z)-but-2-enedioic acid;bis(trimethoxy(2-pyridin-2-ylethyl)silane)

(Z)-but-2-enedioic acid;bis(trimethoxy(2-pyridin-2-ylethyl)silane) (PubChem CID 173055339) has the molecular formula C24H38N2O10Si2 and a molecular weight of 570.74 g/mol. Its IUPAC name is (Z)-but-2-enedioic acid;bis(trimethoxy(2-pyridin-2-ylethyl)silane).

Molecular Properties

Compound Name(Z)-but-2-enedioic acid;bis(trimethoxy(2-pyridin-2-ylethyl)silane)
PubChem CID173055339
Molecular FormulaC24H38N2O10Si2
Molecular Weight570.74 g/mol
Exact Mass570.21
IUPAC Name(Z)-but-2-enedioic acid;bis(trimethoxy(2-pyridin-2-ylethyl)silane)
SMILESCO[Si](CCc1ccccn1)(OC)OC.CO[Si](CCc1ccccn1)(OC)OC.O=C(O)/C=C\C(=O)O
InChIInChI=1S/2C10H17NO3Si.C4H4O4/c2*1-12-15(13-2,14-3)9-7-10-6-4-5-8-11-10;5-3(6)1-2-4(7)8/h2*4-6,8H,7,9H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;;2-1-
InChIKeyPLNPEAFYERMYFJ-KSBRXOFISA-N
XLogP2.72
TPSA155.76 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500570.74
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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

trimethoxy(2-pyridin-2-ylethyl)silane
CID 158126739
2-benzylpyridine;(Z)-but-2-enedioic acid
CID 5356234
acetic acid;2-propylpyridine;hydrobromide
CID 70094168
acetic acid;2-(chloromethyl)pyridine
CID 174751578
2-[2-(4-methoxyphenyl)sulfanylethyl]pyridine;oxalic acid
CID 2854786
acetic acid;2-ethylpyridine
CID 70072313
4-pyridin-2-yl-2-(2-pyridin-2-ylethyl)butanoic acid
CID 54563679
(E)-but-2-enedioic acid;2-pyridin-2-ylpyridine
CID 139063802
acetic acid;pyridin-2-ylmethanethiol
CID 20560339
(E)-4-[methyl(pyridin-2-ylmethyl)amino]but-2-enoic acid
CID 62342136
2-methoxy-2-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 58929163
4-[methyl(pyridin-2-ylmethyl)amino]but-2-enoic acid
CID 76940627

Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-enedioic acid;bis(trimethoxy(2-pyridin-2-ylethyl)silane)?
The IUPAC name of (Z)-but-2-enedioic acid;bis(trimethoxy(2-pyridin-2-ylethyl)silane) (CID 173055339) is (Z)-but-2-enedioic acid;bis(trimethoxy(2-pyridin-2-ylethyl)silane).
What is the SMILES notation for (Z)-but-2-enedioic acid;bis(trimethoxy(2-pyridin-2-ylethyl)silane)?
The canonical SMILES for (Z)-but-2-enedioic acid;bis(trimethoxy(2-pyridin-2-ylethyl)silane) is CO[Si](CCc1ccccn1)(OC)OC.CO[Si](CCc1ccccn1)(OC)OC.O=C(O)/C=C\C(=O)O.
What is the InChIKey of (Z)-but-2-enedioic acid;bis(trimethoxy(2-pyridin-2-ylethyl)silane)?
The InChIKey is PLNPEAFYERMYFJ-KSBRXOFISA-N. The full InChI is InChI=1S/2C10H17NO3Si.C4H4O4/c2*1-12-15(13-2,14-3)9-7-10-6-4-5-8-11-10;5-3(6)1-2-4(7)8/h2*4-6,8H,7,9H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;;2-1-.
What are the key properties of (Z)-but-2-enedioic acid;bis(trimethoxy(2-pyridin-2-ylethyl)silane)?
(Z)-but-2-enedioic acid;bis(trimethoxy(2-pyridin-2-ylethyl)silane) has a molecular weight of 570.74 g/mol, XLogP of 2.72, 14 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-enedioic acid;bis(trimethoxy(2-pyridin-2-ylethyl)silane) is sourced from PubChem (CID 173055339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).