dimethyl 2-[(2E)-4-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienyl]cyclopropane-1,1-dicarboxylate

C18H30O5Si — CID 135028469

IUPACdimethyl 2-[(2E)-4-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienyl]cyclopropane-1,1-dicarboxylate
SMILESC=C(/C=C/CC1CC1(C(=O)OC)C(=O)OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H30O5Si/c1-13(23-24(7,8)17(2,3)4)10-9-11-14-12-18(14,15(19)21-5)16(20)22-6/h9-10,14H,1,11-12H2,2-8H3/b10-9+
InChIKeyLGSWRAZWEJJXLV-MDZDMXLPSA-N
MW354.52 g/mol
LogP3.82
Rot. Bonds7

About dimethyl 2-[(2E)-4-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienyl]cyclopropane-1,1-dicarboxylate

dimethyl 2-[(2E)-4-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienyl]cyclopropane-1,1-dicarboxylate (PubChem CID 135028469) has the molecular formula C18H30O5Si and a molecular weight of 354.52 g/mol. Its IUPAC name is dimethyl 2-[(2E)-4-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienyl]cyclopropane-1,1-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-[(2E)-4-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienyl]cyclopropane-1,1-dicarboxylate
PubChem CID135028469
Molecular FormulaC18H30O5Si
Molecular Weight354.52 g/mol
Exact Mass354.19
IUPAC Namedimethyl 2-[(2E)-4-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienyl]cyclopropane-1,1-dicarboxylate
SMILESC=C(/C=C/CC1CC1(C(=O)OC)C(=O)OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H30O5Si/c1-13(23-24(7,8)17(2,3)4)10-9-11-14-12-18(14,15(19)21-5)16(20)22-6/h9-10,14H,1,11-12H2,2-8H3/b10-9+
InChIKeyLGSWRAZWEJJXLV-MDZDMXLPSA-N
XLogP3.82
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.52
LogP ≤ 53.82
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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Frequently Asked Questions

What is the IUPAC name of dimethyl 2-[(2E)-4-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienyl]cyclopropane-1,1-dicarboxylate?
The IUPAC name of dimethyl 2-[(2E)-4-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienyl]cyclopropane-1,1-dicarboxylate (CID 135028469) is dimethyl 2-[(2E)-4-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienyl]cyclopropane-1,1-dicarboxylate.
What is the SMILES notation for dimethyl 2-[(2E)-4-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienyl]cyclopropane-1,1-dicarboxylate?
The canonical SMILES for dimethyl 2-[(2E)-4-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienyl]cyclopropane-1,1-dicarboxylate is C=C(/C=C/CC1CC1(C(=O)OC)C(=O)OC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of dimethyl 2-[(2E)-4-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienyl]cyclopropane-1,1-dicarboxylate?
The InChIKey is LGSWRAZWEJJXLV-MDZDMXLPSA-N. The full InChI is InChI=1S/C18H30O5Si/c1-13(23-24(7,8)17(2,3)4)10-9-11-14-12-18(14,15(19)21-5)16(20)22-6/h9-10,14H,1,11-12H2,2-8H3/b10-9+.
What are the key properties of dimethyl 2-[(2E)-4-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienyl]cyclopropane-1,1-dicarboxylate?
dimethyl 2-[(2E)-4-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienyl]cyclopropane-1,1-dicarboxylate has a molecular weight of 354.52 g/mol, XLogP of 3.82, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-[(2E)-4-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienyl]cyclopropane-1,1-dicarboxylate is sourced from PubChem (CID 135028469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).