bis[3-(2,2,3,6,6-pentamethyloxadisilinan-3-yl)propyl] but-2-enedioate

C26H52O6Si4 — CID 67882288

IUPACbis[3-(2,2,3,6,6-pentamethyloxadisilinan-3-yl)propyl] but-2-enedioate
SMILESCC1(C)CC[Si](C)(CCCOC(=O)C=CC(=O)OCCC[Si]2(C)CCC(C)(C)O[Si]2(C)C)[Si](C)(C)O1
InChIInChI=1S/C26H52O6Si4/c1-25(2)15-21-35(9,33(5,6)31-25)19-11-17-29-23(27)13-14-24(28)30-18-12-20-36(10)22-16-26(3,4)32-34(36,7)8/h13-14H,11-12,15-22H2,1-10H3
InChIKeyCCJFTVPDECHOEV-UHFFFAOYSA-N
MW573.04 g/mol
LogP6.53
Rot. Bonds10

About bis[3-(2,2,3,6,6-pentamethyloxadisilinan-3-yl)propyl] but-2-enedioate

bis[3-(2,2,3,6,6-pentamethyloxadisilinan-3-yl)propyl] but-2-enedioate (PubChem CID 67882288) has the molecular formula C26H52O6Si4 and a molecular weight of 573.04 g/mol. Its IUPAC name is bis[3-(2,2,3,6,6-pentamethyloxadisilinan-3-yl)propyl] but-2-enedioate.

Molecular Properties

Compound Namebis[3-(2,2,3,6,6-pentamethyloxadisilinan-3-yl)propyl] but-2-enedioate
PubChem CID67882288
Molecular FormulaC26H52O6Si4
Molecular Weight573.04 g/mol
Exact Mass572.28
IUPAC Namebis[3-(2,2,3,6,6-pentamethyloxadisilinan-3-yl)propyl] but-2-enedioate
SMILESCC1(C)CC[Si](C)(CCCOC(=O)C=CC(=O)OCCC[Si]2(C)CCC(C)(C)O[Si]2(C)C)[Si](C)(C)O1
InChIInChI=1S/C26H52O6Si4/c1-25(2)15-21-35(9,33(5,6)31-25)19-11-17-29-23(27)13-14-24(28)30-18-12-20-36(10)22-16-26(3,4)32-34(36,7)8/h13-14H,11-12,15-22H2,1-10H3
InChIKeyCCJFTVPDECHOEV-UHFFFAOYSA-N
XLogP6.53
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.04
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze bis[3-(2,2,3,6,6-pentamethyloxadisilinan-3-yl)propyl] but-2-enedioate with MolForge

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Related Compounds

3-(2,2,3,6,6-pentamethyloxadisilinan-3-yl)propyl 2-methylprop-2-enoate
CID 70232650
bis(3-methoxypropyl) (Z)-but-2-enedioate
CID 87255789
CID 57489595
CID 57489595
bis(4-ethylhexyl) (E)-but-2-enedioate
CID 141414429
propyl 3-(2,3,3,4,4,6,6-heptamethyloxatrisilinan-2-yl)prop-2-enoate
CID 175575645
3-[[3-acetyloxypropyl(dimethyl)silyl]oxy-bis(2,2,3,6,6-pentamethyloxadisilinan-3-yl)silyl]propyl 2-methylprop-2-enoate
CID 70507135
bis(4,4-dihydroxybutyl) (E)-but-2-enedioate
CID 88609107
dioctyl but-2-enedioate
CID 18011
dihexyl (Z)-but-2-enedioate
CID 5271573
didodecyl (Z)-but-2-enedioate
CID 5354846
4-O-hexyl 1-O-pentyl (E)-but-2-enedioate
CID 91709768
4-O-decyl 1-O-heptyl (E)-but-2-enedioate
CID 91693346

Frequently Asked Questions

What is the IUPAC name of bis[3-(2,2,3,6,6-pentamethyloxadisilinan-3-yl)propyl] but-2-enedioate?
The IUPAC name of bis[3-(2,2,3,6,6-pentamethyloxadisilinan-3-yl)propyl] but-2-enedioate (CID 67882288) is bis[3-(2,2,3,6,6-pentamethyloxadisilinan-3-yl)propyl] but-2-enedioate.
What is the SMILES notation for bis[3-(2,2,3,6,6-pentamethyloxadisilinan-3-yl)propyl] but-2-enedioate?
The canonical SMILES for bis[3-(2,2,3,6,6-pentamethyloxadisilinan-3-yl)propyl] but-2-enedioate is CC1(C)CC[Si](C)(CCCOC(=O)C=CC(=O)OCCC[Si]2(C)CCC(C)(C)O[Si]2(C)C)[Si](C)(C)O1.
What is the InChIKey of bis[3-(2,2,3,6,6-pentamethyloxadisilinan-3-yl)propyl] but-2-enedioate?
The InChIKey is CCJFTVPDECHOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H52O6Si4/c1-25(2)15-21-35(9,33(5,6)31-25)19-11-17-29-23(27)13-14-24(28)30-18-12-20-36(10)22-16-26(3,4)32-34(36,7)8/h13-14H,11-12,15-22H2,1-10H3.
What are the key properties of bis[3-(2,2,3,6,6-pentamethyloxadisilinan-3-yl)propyl] but-2-enedioate?
bis[3-(2,2,3,6,6-pentamethyloxadisilinan-3-yl)propyl] but-2-enedioate has a molecular weight of 573.04 g/mol, XLogP of 6.53, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis[3-(2,2,3,6,6-pentamethyloxadisilinan-3-yl)propyl] but-2-enedioate is sourced from PubChem (CID 67882288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).