dimethyl 2-[(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-1-enyl]cyclopropane-1,1-dicarboxylate

C19H34O5Si — CID 102143484

IUPACdimethyl 2-[(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-1-enyl]cyclopropane-1,1-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)CC1/C=C/CCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H34O5Si/c1-18(2,3)25(6,7)24-13-11-9-8-10-12-15-14-19(15,16(20)22-4)17(21)23-5/h10,12,15H,8-9,11,13-14H2,1-7H3/b12-10+
InChIKeyQMMWWIWPTHOQQC-ZRDIBKRKSA-N
MW370.56 g/mol
LogP4.09
Rot. Bonds9

About dimethyl 2-[(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-1-enyl]cyclopropane-1,1-dicarboxylate

dimethyl 2-[(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-1-enyl]cyclopropane-1,1-dicarboxylate (PubChem CID 102143484) has the molecular formula C19H34O5Si and a molecular weight of 370.56 g/mol. Its IUPAC name is dimethyl 2-[(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-1-enyl]cyclopropane-1,1-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-[(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-1-enyl]cyclopropane-1,1-dicarboxylate
PubChem CID102143484
Molecular FormulaC19H34O5Si
Molecular Weight370.56 g/mol
Exact Mass370.22
IUPAC Namedimethyl 2-[(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-1-enyl]cyclopropane-1,1-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)CC1/C=C/CCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H34O5Si/c1-18(2,3)25(6,7)24-13-11-9-8-10-12-15-14-19(15,16(20)22-4)17(21)23-5/h10,12,15H,8-9,11,13-14H2,1-7H3/b12-10+
InChIKeyQMMWWIWPTHOQQC-ZRDIBKRKSA-N
XLogP4.09
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.56
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

diethyl (2R)-2-[(E)-prop-1-enyl]cyclopropane-1,1-dicarboxylate
CID 10036640
dimethyl 2-[(E)-4-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-methoxycarbonylcyclopropyl]but-2-enyl]propanedioate
CID 10950262
diethyl 2-[(E)-4-cyclopropylbut-3-en-2-yl]-2-(3-trimethylsilylprop-2-ynyl)propanedioate
CID 24808269
dimethyl 2-[(E)-hex-1-enyl]cyclopropane-1,1-dicarboxylate
CID 102143480
tert-butyl (E)-2-acetyl-5-[(1S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethylcyclopropyl]pent-4-enoate
CID 135031905
dimethyl 2-[(E)-3-trimethylsilylprop-1-enyl]cyclopropane-1,1-dicarboxylate
CID 135042043
diethyl (2S)-2-[(Z)-prop-1-enyl]cyclopropane-1,1-dicarboxylate
CID 10036641
trans-tert-butyl (1R,2R)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[(Z)-hex-1-enyl]cyclopropane-1-carboxylate
CID 10523079
hexamethyl (3E,8E,13E)-15-[2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1-methoxycarbonylcyclopropyl]pentadeca-3,8,13-triene-1,1,6,6,11,11-hexacarboxylate
CID 10629209
diethyl 2-[(E)-but-2-enyl]-2-(4-triethylsilylbutan-2-yl)propanedioate
CID 10691453
diethyl 2-[(E)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-en-4-yl]propanedioate
CID 10715213
trans-tert-butyl (1R,2R)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethenylcyclopropane-1-carboxylate
CID 10781443

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-[(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-1-enyl]cyclopropane-1,1-dicarboxylate?
The IUPAC name of dimethyl 2-[(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-1-enyl]cyclopropane-1,1-dicarboxylate (CID 102143484) is dimethyl 2-[(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-1-enyl]cyclopropane-1,1-dicarboxylate.
What is the SMILES notation for dimethyl 2-[(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-1-enyl]cyclopropane-1,1-dicarboxylate?
The canonical SMILES for dimethyl 2-[(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-1-enyl]cyclopropane-1,1-dicarboxylate is COC(=O)C1(C(=O)OC)CC1/C=C/CCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of dimethyl 2-[(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-1-enyl]cyclopropane-1,1-dicarboxylate?
The InChIKey is QMMWWIWPTHOQQC-ZRDIBKRKSA-N. The full InChI is InChI=1S/C19H34O5Si/c1-18(2,3)25(6,7)24-13-11-9-8-10-12-15-14-19(15,16(20)22-4)17(21)23-5/h10,12,15H,8-9,11,13-14H2,1-7H3/b12-10+.
What are the key properties of dimethyl 2-[(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-1-enyl]cyclopropane-1,1-dicarboxylate?
dimethyl 2-[(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-1-enyl]cyclopropane-1,1-dicarboxylate has a molecular weight of 370.56 g/mol, XLogP of 4.09, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-[(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-1-enyl]cyclopropane-1,1-dicarboxylate is sourced from PubChem (CID 102143484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).