bis(3-trimethylsilylpropyl) (E)-2-propan-2-ylbut-2-enedioate

C19H38O4Si2 — CID 139720567

IUPACbis(3-trimethylsilylpropyl) (E)-2-propan-2-ylbut-2-enedioate
SMILESCC(C)/C(=C\C(=O)OCCC[Si](C)(C)C)C(=O)OCCC[Si](C)(C)C
InChIInChI=1S/C19H38O4Si2/c1-16(2)17(19(21)23-12-10-14-25(6,7)8)15-18(20)22-11-9-13-24(3,4)5/h15-16H,9-14H2,1-8H3/b17-15+
InChIKeyBVOCZAXNAROZGL-BMRADRMJSA-N
MW386.68 g/mol
LogP5.11
Rot. Bonds11

About bis(3-trimethylsilylpropyl) (E)-2-propan-2-ylbut-2-enedioate

bis(3-trimethylsilylpropyl) (E)-2-propan-2-ylbut-2-enedioate (PubChem CID 139720567) has the molecular formula C19H38O4Si2 and a molecular weight of 386.68 g/mol. Its IUPAC name is bis(3-trimethylsilylpropyl) (E)-2-propan-2-ylbut-2-enedioate.

Molecular Properties

Compound Namebis(3-trimethylsilylpropyl) (E)-2-propan-2-ylbut-2-enedioate
PubChem CID139720567
Molecular FormulaC19H38O4Si2
Molecular Weight386.68 g/mol
Exact Mass386.23
IUPAC Namebis(3-trimethylsilylpropyl) (E)-2-propan-2-ylbut-2-enedioate
SMILESCC(C)/C(=C\C(=O)OCCC[Si](C)(C)C)C(=O)OCCC[Si](C)(C)C
InChIInChI=1S/C19H38O4Si2/c1-16(2)17(19(21)23-12-10-14-25(6,7)8)15-18(20)22-11-9-13-24(3,4)5/h15-16H,9-14H2,1-8H3/b17-15+
InChIKeyBVOCZAXNAROZGL-BMRADRMJSA-N
XLogP5.11
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.68
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

diethyl (E)-5-methylidene-3-trimethylsilylhex-2-enedioate
CID 101412878
diethyl (Z)-2-propan-2-ylbut-2-enedioate
CID 12644245
diethyl (E)-2-propan-2-ylbut-2-enedioate
CID 12644244
ethyl (E)-5-methyl-2-(trimethylsilylmethyl)hex-2-enoate
CID 13442959
ethyl (E,4S)-6-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethoxymethyl]-2-methylhex-2-enoate
CID 44477892
(2S,3S)-2-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylbut-1-enyl]-3,5-dimethyl-2,3-dihydropyran-6-one
CID 46180224
ethyl (E,5R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylhex-2-enoate
CID 49788313
ethyl (E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethylpent-2-enoate
CID 60153401
Ethyl 5-methyl-2-(trimethylsilylmethyl)hex-2-enoate
CID 85521143
Ethyl (2e,5s)-7-{[t-butyl(dimethyl)silyl]oxy}-methyl-5-methylocta-2,7-dienoate
CID 129758203
ethyl (2Z,4R,5R,6E)-5,8-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,7-trimethylocta-2,6-dienoate
CID 134841576
(3E,5R,6R,7Z)-5-[tert-butyl(dimethyl)silyl]oxy-9-ethoxy-3,6,8-trimethyl-9-oxonona-3,7-dienoic acid
CID 134841662

Frequently Asked Questions

What is the IUPAC name of bis(3-trimethylsilylpropyl) (E)-2-propan-2-ylbut-2-enedioate?
The IUPAC name of bis(3-trimethylsilylpropyl) (E)-2-propan-2-ylbut-2-enedioate (CID 139720567) is bis(3-trimethylsilylpropyl) (E)-2-propan-2-ylbut-2-enedioate.
What is the SMILES notation for bis(3-trimethylsilylpropyl) (E)-2-propan-2-ylbut-2-enedioate?
The canonical SMILES for bis(3-trimethylsilylpropyl) (E)-2-propan-2-ylbut-2-enedioate is CC(C)/C(=C\C(=O)OCCC[Si](C)(C)C)C(=O)OCCC[Si](C)(C)C.
What is the InChIKey of bis(3-trimethylsilylpropyl) (E)-2-propan-2-ylbut-2-enedioate?
The InChIKey is BVOCZAXNAROZGL-BMRADRMJSA-N. The full InChI is InChI=1S/C19H38O4Si2/c1-16(2)17(19(21)23-12-10-14-25(6,7)8)15-18(20)22-11-9-13-24(3,4)5/h15-16H,9-14H2,1-8H3/b17-15+.
What are the key properties of bis(3-trimethylsilylpropyl) (E)-2-propan-2-ylbut-2-enedioate?
bis(3-trimethylsilylpropyl) (E)-2-propan-2-ylbut-2-enedioate has a molecular weight of 386.68 g/mol, XLogP of 5.11, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-trimethylsilylpropyl) (E)-2-propan-2-ylbut-2-enedioate is sourced from PubChem (CID 139720567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).