ethyl (2E)-2-[(2R,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopentylidene]acetate

C23H46O4Si2 — CID 10503384

IUPACethyl (2E)-2-[(2R,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopentylidene]acetate
SMILESCCOC(=O)/C=C1\C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H46O4Si2/c1-13-25-21(24)15-18-14-20(27-29(11,12)23(6,7)8)17(2)19(18)16-26-28(9,10)22(3,4)5/h15,17,19-20H,13-14,16H2,1-12H3/b18-15+/t17-,19-,20+/m1/s1
InChIKeyCZKXSLAUWSJRFH-RTZJEJFSSA-N
MW442.79 g/mol
LogP6.54
Rot. Bonds7

About ethyl (2E)-2-[(2R,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopentylidene]acetate

ethyl (2E)-2-[(2R,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopentylidene]acetate (PubChem CID 10503384) has the molecular formula C23H46O4Si2 and a molecular weight of 442.79 g/mol. Its IUPAC name is ethyl (2E)-2-[(2R,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopentylidene]acetate.

Molecular Properties

Compound Nameethyl (2E)-2-[(2R,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopentylidene]acetate
PubChem CID10503384
Molecular FormulaC23H46O4Si2
Molecular Weight442.79 g/mol
Exact Mass442.29
IUPAC Nameethyl (2E)-2-[(2R,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopentylidene]acetate
SMILESCCOC(=O)/C=C1\C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H46O4Si2/c1-13-25-21(24)15-18-14-20(27-29(11,12)23(6,7)8)17(2)19(18)16-26-28(9,10)22(3,4)5/h15,17,19-20H,13-14,16H2,1-12H3/b18-15+/t17-,19-,20+/m1/s1
InChIKeyCZKXSLAUWSJRFH-RTZJEJFSSA-N
XLogP6.54
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.79
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl (2E)-2-[(2R,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopentylidene]acetate?
The IUPAC name of ethyl (2E)-2-[(2R,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopentylidene]acetate (CID 10503384) is ethyl (2E)-2-[(2R,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopentylidene]acetate.
What is the SMILES notation for ethyl (2E)-2-[(2R,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopentylidene]acetate?
The canonical SMILES for ethyl (2E)-2-[(2R,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopentylidene]acetate is CCOC(=O)/C=C1\C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (2E)-2-[(2R,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopentylidene]acetate?
The InChIKey is CZKXSLAUWSJRFH-RTZJEJFSSA-N. The full InChI is InChI=1S/C23H46O4Si2/c1-13-25-21(24)15-18-14-20(27-29(11,12)23(6,7)8)17(2)19(18)16-26-28(9,10)22(3,4)5/h15,17,19-20H,13-14,16H2,1-12H3/b18-15+/t17-,19-,20+/m1/s1.
What are the key properties of ethyl (2E)-2-[(2R,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopentylidene]acetate?
ethyl (2E)-2-[(2R,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopentylidene]acetate has a molecular weight of 442.79 g/mol, XLogP of 6.54, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-[(2R,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopentylidene]acetate is sourced from PubChem (CID 10503384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).