bis[tri(propan-2-yl)silyl] but-2-enedioate

C22H44O4Si2 — CID 123991340

IUPACbis[tri(propan-2-yl)silyl] but-2-enedioate
SMILESCC(C)[Si](OC(=O)C=CC(=O)O[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C22H44O4Si2/c1-15(2)27(16(3)4,17(5)6)25-21(23)13-14-22(24)26-28(18(7)8,19(9)10)20(11)12/h13-20H,1-12H3
InChIKeyFPAMKDGYIVJNOL-UHFFFAOYSA-N
MW428.76 g/mol
LogP6.98
Rot. Bonds10

About bis[tri(propan-2-yl)silyl] but-2-enedioate

bis[tri(propan-2-yl)silyl] but-2-enedioate (PubChem CID 123991340) has the molecular formula C22H44O4Si2 and a molecular weight of 428.76 g/mol. Its IUPAC name is bis[tri(propan-2-yl)silyl] but-2-enedioate.

Molecular Properties

Compound Namebis[tri(propan-2-yl)silyl] but-2-enedioate
PubChem CID123991340
Molecular FormulaC22H44O4Si2
Molecular Weight428.76 g/mol
Exact Mass428.28
IUPAC Namebis[tri(propan-2-yl)silyl] but-2-enedioate
SMILESCC(C)[Si](OC(=O)C=CC(=O)O[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C22H44O4Si2/c1-15(2)27(16(3)4,17(5)6)25-21(23)13-14-22(24)26-28(18(7)8,19(9)10)20(11)12/h13-20H,1-12H3
InChIKeyFPAMKDGYIVJNOL-UHFFFAOYSA-N
XLogP6.98
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.76
LogP ≤ 56.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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)-4-oxo-4-tri(propan-2-yl)silyloxybut-2-enoic acid
CID 167577175
tri(propan-2-yl)silyl (E)-3-phenylprop-2-enoate
CID 11174213
1-O-methyl 4-O-[2-oxo-2-tri(propan-2-yl)silyloxyethyl] but-2-enedioate
CID 91372829
tri(propan-2-yl)silyl (2E,4E,6E)-7-tributylstannylhepta-2,4,6-trienoate
CID 11766953
1-O-methyl 4-O-[1-oxo-1-tri(propan-2-yl)silyloxypentan-2-yl] (Z)-but-2-enedioate
CID 87706788
1-O-methyl 4-O-[5-oxo-5-tri(propan-2-yl)silyloxypentyl] but-2-enedioate
CID 91313467
bis[chloro(dimethyl)silyl] but-2-enedioate
CID 91541639
3-tri(propan-2-yl)silyloxycarbonylpent-3-enoic acid
CID 54459378
bis[2-oxo-2-tri(propan-2-yl)silyloxyethyl]phosphinic acid
CID 58473372
4-O-[dimethyl(propan-2-yl)silyl] 1-O-pentyl (Z)-but-2-enedioate
CID 139703201
(Z)-4-[2,4-dimethylpentan-2-yl-di(propan-2-yl)silyl]oxy-4-oxobut-2-enoic acid
CID 141231497
[3-methyl-1-tri(propan-2-yl)silyloxybuta-1,3-dienoxy]-tri(propan-2-yl)silane
CID 102163574

Frequently Asked Questions

What is the IUPAC name of bis[tri(propan-2-yl)silyl] but-2-enedioate?
The IUPAC name of bis[tri(propan-2-yl)silyl] but-2-enedioate (CID 123991340) is bis[tri(propan-2-yl)silyl] but-2-enedioate.
What is the SMILES notation for bis[tri(propan-2-yl)silyl] but-2-enedioate?
The canonical SMILES for bis[tri(propan-2-yl)silyl] but-2-enedioate is CC(C)[Si](OC(=O)C=CC(=O)O[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C.
What is the InChIKey of bis[tri(propan-2-yl)silyl] but-2-enedioate?
The InChIKey is FPAMKDGYIVJNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44O4Si2/c1-15(2)27(16(3)4,17(5)6)25-21(23)13-14-22(24)26-28(18(7)8,19(9)10)20(11)12/h13-20H,1-12H3.
What are the key properties of bis[tri(propan-2-yl)silyl] but-2-enedioate?
bis[tri(propan-2-yl)silyl] but-2-enedioate has a molecular weight of 428.76 g/mol, XLogP of 6.98, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis[tri(propan-2-yl)silyl] but-2-enedioate is sourced from PubChem (CID 123991340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).