bis(ditert-butylstannyl) (Z)-but-2-enedioate

C20H40O4Sn2 — CID 173007024

IUPACbis(ditert-butylstannyl) (Z)-but-2-enedioate
SMILESCC(C)(C)[SnH](OC(=O)/C=C\C(=O)O[SnH](C(C)(C)C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C4H4O4.4C4H9.2Sn.2H/c5-3(6)1-2-4(7)8;4*1-4(2)3;;;;/h1-2H,(H,5,6)(H,7,8);4*1-3H3;;;;/q;;;;;2*+1;;/p-2/b2-1-;;;;;;;;
InChIKeyOPKNFBFUWMNQDB-DYNMZUSMSA-L
MW581.96 g/mol
LogP5.28
Rot. Bonds4

About bis(ditert-butylstannyl) (Z)-but-2-enedioate

bis(ditert-butylstannyl) (Z)-but-2-enedioate (PubChem CID 173007024) has the molecular formula C20H40O4Sn2 and a molecular weight of 581.96 g/mol. Its IUPAC name is bis(ditert-butylstannyl) (Z)-but-2-enedioate.

Molecular Properties

Compound Namebis(ditert-butylstannyl) (Z)-but-2-enedioate
PubChem CID173007024
Molecular FormulaC20H40O4Sn2
Molecular Weight581.96 g/mol
Exact Mass584.10
IUPAC Namebis(ditert-butylstannyl) (Z)-but-2-enedioate
SMILESCC(C)(C)[SnH](OC(=O)/C=C\C(=O)O[SnH](C(C)(C)C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C4H4O4.4C4H9.2Sn.2H/c5-3(6)1-2-4(7)8;4*1-4(2)3;;;;/h1-2H,(H,5,6)(H,7,8);4*1-3H3;;;;/q;;;;;2*+1;;/p-2/b2-1-;;;;;;;;
InChIKeyOPKNFBFUWMNQDB-DYNMZUSMSA-L
XLogP5.28
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.96
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ditert-butyl (Z)-but-2-enediperoxoate
CID 14454683
tert-butyl (E)-3-iodoprop-2-enoate
CID 10999580
bis(1,1-dimethoxyethyl) (Z)-but-2-enedioate
CID 87306237
bis(2,2-dimethylpropyl) (Z)-but-2-enedioate
CID 87865540
diiodo (Z)-but-2-enedioate
CID 159859279
tert-butyl (Z)-4-oxopent-2-enoate
CID 58880394
bis(2-methylbut-3-en-2-yl) (Z)-but-2-enedioate
CID 87169100
CID 160615105
CID 160615105
4-[(2-methylpropan-2-yl)oxy]-4-oxobut-2-enoate
CID 7055993
bis(2-prop-2-enoyloxypropan-2-yl) (Z)-but-2-enedioate
CID 88763675
methane;4-[(2-methylpropan-2-yl)oxy]-4-oxobut-2-enoic acid
CID 173377461
4-(1-chloro-2,2-dimethylpropoxy)-4-oxobut-2-enoic acid
CID 175736574

Frequently Asked Questions

What is the IUPAC name of bis(ditert-butylstannyl) (Z)-but-2-enedioate?
The IUPAC name of bis(ditert-butylstannyl) (Z)-but-2-enedioate (CID 173007024) is bis(ditert-butylstannyl) (Z)-but-2-enedioate.
What is the SMILES notation for bis(ditert-butylstannyl) (Z)-but-2-enedioate?
The canonical SMILES for bis(ditert-butylstannyl) (Z)-but-2-enedioate is CC(C)(C)[SnH](OC(=O)/C=C\C(=O)O[SnH](C(C)(C)C)C(C)(C)C)C(C)(C)C.
What is the InChIKey of bis(ditert-butylstannyl) (Z)-but-2-enedioate?
The InChIKey is OPKNFBFUWMNQDB-DYNMZUSMSA-L. The full InChI is InChI=1S/C4H4O4.4C4H9.2Sn.2H/c5-3(6)1-2-4(7)8;4*1-4(2)3;;;;/h1-2H,(H,5,6)(H,7,8);4*1-3H3;;;;/q;;;;;2*+1;;/p-2/b2-1-;;;;;;;;.
What are the key properties of bis(ditert-butylstannyl) (Z)-but-2-enedioate?
bis(ditert-butylstannyl) (Z)-but-2-enedioate has a molecular weight of 581.96 g/mol, XLogP of 5.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(ditert-butylstannyl) (Z)-but-2-enedioate is sourced from PubChem (CID 173007024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).