cis-dimethyl (2S,4R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-ethenyl-3-methylidenecyclopentane-1,1-dicarboxylate

C20H34O5Si — CID 135028109

IUPACcis-dimethyl (2S,4R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-ethenyl-3-methylidenecyclopentane-1,1-dicarboxylate
SMILESC=C[C@H]1CC(C(=O)OC)(C(=O)OC)[C@@H](CCO[Si](C)(C)C(C)(C)C)C1=C
InChIInChI=1S/C20H34O5Si/c1-10-15-13-20(17(21)23-6,18(22)24-7)16(14(15)2)11-12-25-26(8,9)19(3,4)5/h10,15-16H,1-2,11-13H2,3-9H3/t15-,16-/m0/s1
InChIKeyQPGYFGZVTCFKGE-HOTGVXAUSA-N
MW382.57 g/mol
LogP4.11
Rot. Bonds7

About cis-dimethyl (2S,4R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-ethenyl-3-methylidenecyclopentane-1,1-dicarboxylate

cis-dimethyl (2S,4R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-ethenyl-3-methylidenecyclopentane-1,1-dicarboxylate (PubChem CID 135028109) has the molecular formula C20H34O5Si and a molecular weight of 382.57 g/mol. Its IUPAC name is cis-dimethyl (2S,4R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-ethenyl-3-methylidenecyclopentane-1,1-dicarboxylate.

Molecular Properties

Compound Namecis-dimethyl (2S,4R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-ethenyl-3-methylidenecyclopentane-1,1-dicarboxylate
PubChem CID135028109
Molecular FormulaC20H34O5Si
Molecular Weight382.57 g/mol
Exact Mass382.22
IUPAC Namecis-dimethyl (2S,4R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-ethenyl-3-methylidenecyclopentane-1,1-dicarboxylate
SMILESC=C[C@H]1CC(C(=O)OC)(C(=O)OC)[C@@H](CCO[Si](C)(C)C(C)(C)C)C1=C
InChIInChI=1S/C20H34O5Si/c1-10-15-13-20(17(21)23-6,18(22)24-7)16(14(15)2)11-12-25-26(8,9)19(3,4)5/h10,15-16H,1-2,11-13H2,3-9H3/t15-,16-/m0/s1
InChIKeyQPGYFGZVTCFKGE-HOTGVXAUSA-N
XLogP4.11
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.57
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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 (1S,2R,6R,7Z,10Z)-5,5-di(propan-2-yl)-4-oxa-5-silatricyclo[9.3.0.02,6]tetradeca-7,10-diene-13,13-dicarboxylate
CID 101350464
dimethyl (4E)-3-prop-1-en-2-yl-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 101546111
cis-dimethyl (2S,4R)-4-ethenyl-3-methylidene-2-pentylcyclopentane-1,1-dicarboxylate
CID 102368832
Methyl 1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enyl]-4,4-dimethyl-2-oxocyclopentane-1-carboxylate
CID 135015490
cis-dimethyl (2S,4R)-2-(2-acetyloxyethyl)-4-ethenyl-3-methylidenecyclopentane-1,1-dicarboxylate
CID 135028108
diethyl (1S,2R,6S,7Z,10Z)-5,5-di(propan-2-yl)-4-oxa-5-silatricyclo[9.3.0.02,6]tetradeca-7,10-diene-13,13-dicarboxylate
CID 135055525
diethyl (3S,3aS)-3-methyl-8-trimethylsilyl-3,3a,6,7-tetrahydro-1H-azulene-2,2-dicarboxylate
CID 135069717
diethyl (3S,3aR)-3-methyl-8-trimethylsilyl-3,3a,6,7-tetrahydro-1H-azulene-2,2-dicarboxylate
CID 135069887
trans-methyl (1R,3R)-2-methylidene-1-prop-2-enyl-3-[tri(propan-2-yl)silyloxymethyl]cyclopentane-1-carboxylate
CID 154707336
cis-diethyl (2S,5S)-2-methyl-5-(3-trimethylsilylprop-1-en-2-yl)cyclopentane-1,1-dicarboxylate
CID 164685473
diethyl (3aR,7aS)-4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethyl-3a,6,7,7a-tetrahydro-2H-indene-1,1-dicarboxylate
CID 176435361
2-O-methyl 2-O'-triethylsilyl bicyclo[2.2.1]hept-5-ene-2,2-dicarboxylate
CID 140034570

Frequently Asked Questions

What is the IUPAC name of cis-dimethyl (2S,4R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-ethenyl-3-methylidenecyclopentane-1,1-dicarboxylate?
The IUPAC name of cis-dimethyl (2S,4R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-ethenyl-3-methylidenecyclopentane-1,1-dicarboxylate (CID 135028109) is cis-dimethyl (2S,4R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-ethenyl-3-methylidenecyclopentane-1,1-dicarboxylate.
What is the SMILES notation for cis-dimethyl (2S,4R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-ethenyl-3-methylidenecyclopentane-1,1-dicarboxylate?
The canonical SMILES for cis-dimethyl (2S,4R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-ethenyl-3-methylidenecyclopentane-1,1-dicarboxylate is C=C[C@H]1CC(C(=O)OC)(C(=O)OC)[C@@H](CCO[Si](C)(C)C(C)(C)C)C1=C.
What is the InChIKey of cis-dimethyl (2S,4R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-ethenyl-3-methylidenecyclopentane-1,1-dicarboxylate?
The InChIKey is QPGYFGZVTCFKGE-HOTGVXAUSA-N. The full InChI is InChI=1S/C20H34O5Si/c1-10-15-13-20(17(21)23-6,18(22)24-7)16(14(15)2)11-12-25-26(8,9)19(3,4)5/h10,15-16H,1-2,11-13H2,3-9H3/t15-,16-/m0/s1.
What are the key properties of cis-dimethyl (2S,4R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-ethenyl-3-methylidenecyclopentane-1,1-dicarboxylate?
cis-dimethyl (2S,4R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-ethenyl-3-methylidenecyclopentane-1,1-dicarboxylate has a molecular weight of 382.57 g/mol, XLogP of 4.11, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-dimethyl (2S,4R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-ethenyl-3-methylidenecyclopentane-1,1-dicarboxylate is sourced from PubChem (CID 135028109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).