dimethyl 2-[(2E)-4-tri(propan-2-yl)silyloxypenta-2,4-dienyl]propanedioate

C19H34O5Si — CID 11164589

IUPACdimethyl 2-[(2E)-4-tri(propan-2-yl)silyloxypenta-2,4-dienyl]propanedioate
SMILESC=C(/C=C/CC(C(=O)OC)C(=O)OC)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C19H34O5Si/c1-13(2)25(14(3)4,15(5)6)24-16(7)11-10-12-17(18(20)22-8)19(21)23-9/h10-11,13-15,17H,7,12H2,1-6,8-9H3/b11-10+
InChIKeyVCRYWFJLPXHLRT-ZHACJKMWSA-N
MW370.56 g/mol
LogP4.60
Rot. Bonds10

About dimethyl 2-[(2E)-4-tri(propan-2-yl)silyloxypenta-2,4-dienyl]propanedioate

dimethyl 2-[(2E)-4-tri(propan-2-yl)silyloxypenta-2,4-dienyl]propanedioate (PubChem CID 11164589) has the molecular formula C19H34O5Si and a molecular weight of 370.56 g/mol. Its IUPAC name is dimethyl 2-[(2E)-4-tri(propan-2-yl)silyloxypenta-2,4-dienyl]propanedioate.

Molecular Properties

Compound Namedimethyl 2-[(2E)-4-tri(propan-2-yl)silyloxypenta-2,4-dienyl]propanedioate
PubChem CID11164589
Molecular FormulaC19H34O5Si
Molecular Weight370.56 g/mol
Exact Mass370.22
IUPAC Namedimethyl 2-[(2E)-4-tri(propan-2-yl)silyloxypenta-2,4-dienyl]propanedioate
SMILESC=C(/C=C/CC(C(=O)OC)C(=O)OC)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C19H34O5Si/c1-13(2)25(14(3)4,15(5)6)24-16(7)11-10-12-17(18(20)22-8)19(21)23-9/h10-11,13-15,17H,7,12H2,1-6,8-9H3/b11-10+
InChIKeyVCRYWFJLPXHLRT-ZHACJKMWSA-N
XLogP4.60
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.56
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

methyl (E,2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-4-enoate
CID 101611852
dimethyl 2-[(2E,5Z)-5,6-bis(trimethylsilyl)hepta-2,5-dienyl]propanedioate
CID 102291835
CID 18709898
CID 18709898
Methyl 2-acetyl-10-(dimethyl t-butylsilyl)oxy-5,9-dimethyl-4,8-decadienate
CID 54555482
diethyl 2-[(E)-7-[tert-butyl(dimethyl)silyl]oxyhept-3-en-2-yl]propanedioate
CID 10786412
dimethyl 2-[(E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-3-en-2-yl]propanedioate
CID 10871666
methyl (3S,4E)-3-[tert-butyl(dimethyl)silyl]oxyhepta-4,6-dienoate
CID 10890954
dimethyl 2-[(Z)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenepent-3-enyl]propanedioate
CID 10893267
ethyl (3S,4E)-3-[tert-butyl(dimethyl)silyl]oxyhepta-4,6-dienoate
CID 10934985
methyl (E,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-prop-1-enyl]hex-4-enoate
CID 11208757
dimethyl 2-[(1E)-buta-1,3-dienyl]-2-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]propanedioate
CID 11326122
dimethyl 2-[(3S,4E)-7-[tert-butyl(dimethyl)silyl]oxyhepta-1,4-dien-3-yl]propanedioate
CID 11337237

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-[(2E)-4-tri(propan-2-yl)silyloxypenta-2,4-dienyl]propanedioate?
The IUPAC name of dimethyl 2-[(2E)-4-tri(propan-2-yl)silyloxypenta-2,4-dienyl]propanedioate (CID 11164589) is dimethyl 2-[(2E)-4-tri(propan-2-yl)silyloxypenta-2,4-dienyl]propanedioate.
What is the SMILES notation for dimethyl 2-[(2E)-4-tri(propan-2-yl)silyloxypenta-2,4-dienyl]propanedioate?
The canonical SMILES for dimethyl 2-[(2E)-4-tri(propan-2-yl)silyloxypenta-2,4-dienyl]propanedioate is C=C(/C=C/CC(C(=O)OC)C(=O)OC)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of dimethyl 2-[(2E)-4-tri(propan-2-yl)silyloxypenta-2,4-dienyl]propanedioate?
The InChIKey is VCRYWFJLPXHLRT-ZHACJKMWSA-N. The full InChI is InChI=1S/C19H34O5Si/c1-13(2)25(14(3)4,15(5)6)24-16(7)11-10-12-17(18(20)22-8)19(21)23-9/h10-11,13-15,17H,7,12H2,1-6,8-9H3/b11-10+.
What are the key properties of dimethyl 2-[(2E)-4-tri(propan-2-yl)silyloxypenta-2,4-dienyl]propanedioate?
dimethyl 2-[(2E)-4-tri(propan-2-yl)silyloxypenta-2,4-dienyl]propanedioate has a molecular weight of 370.56 g/mol, XLogP of 4.60, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-[(2E)-4-tri(propan-2-yl)silyloxypenta-2,4-dienyl]propanedioate is sourced from PubChem (CID 11164589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).