ethyl [(1R,4S)-4-[tri(propan-2-yl)silyloxymethyl]cyclopent-2-en-1-yl] carbonate

C18H34O4Si — CID 25112093

IUPACethyl [(1R,4S)-4-[tri(propan-2-yl)silyloxymethyl]cyclopent-2-en-1-yl] carbonate
SMILESCCOC(=O)O[C@H]1C=C[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)C1
InChIInChI=1S/C18H34O4Si/c1-8-20-18(19)22-17-10-9-16(11-17)12-21-23(13(2)3,14(4)5)15(6)7/h9-10,13-17H,8,11-12H2,1-7H3/t16-,17+/m1/s1
InChIKeyPSQFLDYAGDYBMN-SJORKVTESA-N
MW342.55 g/mol
LogP5.30
Rot. Bonds8

About ethyl [(1R,4S)-4-[tri(propan-2-yl)silyloxymethyl]cyclopent-2-en-1-yl] carbonate

ethyl [(1R,4S)-4-[tri(propan-2-yl)silyloxymethyl]cyclopent-2-en-1-yl] carbonate (PubChem CID 25112093) has the molecular formula C18H34O4Si and a molecular weight of 342.55 g/mol. Its IUPAC name is ethyl [(1R,4S)-4-[tri(propan-2-yl)silyloxymethyl]cyclopent-2-en-1-yl] carbonate.

Molecular Properties

Compound Nameethyl [(1R,4S)-4-[tri(propan-2-yl)silyloxymethyl]cyclopent-2-en-1-yl] carbonate
PubChem CID25112093
Molecular FormulaC18H34O4Si
Molecular Weight342.55 g/mol
Exact Mass342.22
IUPAC Nameethyl [(1R,4S)-4-[tri(propan-2-yl)silyloxymethyl]cyclopent-2-en-1-yl] carbonate
SMILESCCOC(=O)O[C@H]1C=C[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)C1
InChIInChI=1S/C18H34O4Si/c1-8-20-18(19)22-17-10-9-16(11-17)12-21-23(13(2)3,14(4)5)15(6)7/h9-10,13-17H,8,11-12H2,1-7H3/t16-,17+/m1/s1
InChIKeyPSQFLDYAGDYBMN-SJORKVTESA-N
XLogP5.30
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.55
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(2E,5E,7Z)-7-[(4S,5R)-5-[(E)-but-2-en-2-yl]-4-methyl-2,2-di(propan-2-yl)oxasilolan-3-ylidene]-3-methylhepta-2,5-dienyl] methyl carbonate
CID 11517382
tert-butyl-[(1S,4R,6R)-4-(methoxymethoxy)-6-(methoxymethyl)cyclohex-2-en-1-yl]oxy-dimethylsilane
CID 12158796
(2E,4Z)-4-((tert-butyldimethylsilyl)oxy)-8-methylnona-2,4-dien-1-yl methyl carbonate
CID 134813807
[(1s,2r,5s)-2-{[(t-Butyldimethylsilyl)oxy]methyl}-5-(methoxymethoxy)cyclopent-3-en-1-yl]methyl acetate
CID 172645733
[(1r,2s,5r)-2-{[(t-Butyldimethylsilyl)oxy]methyl}-5-(methoxymethoxy)cyclopent-3-en-1-yl]methyl acetate
CID 172645734
[(1s,4r,5r)-5-{[(t-Butyldimethylsilyl)oxy]methyl}-4-(methoxymethoxy)cyclopent-2-en-1-yl]methyl acetate
CID 172645735
[(1R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-yl] acetate
CID 10333359
[(1S,4R)-4-methoxycarbonyloxycyclopent-2-en-1-yl]methyl methyl carbonate
CID 10955368
[4-[[Tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-yl] acetate
CID 15674821
(4S,5S)-4-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-5-[(E)-2-methylbut-1-enyl]-1,3-dioxolan-2-one
CID 140658608
tert-butyl-[(2R,5R,6E,8Z)-5-(methoxymethoxy)undeca-6,8-dien-2-yl]oxy-dimethylsilane;carbon dioxide
CID 158929573
[(1R,4S)-4-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-yl] acetate
CID 10518215

Frequently Asked Questions

What is the IUPAC name of ethyl [(1R,4S)-4-[tri(propan-2-yl)silyloxymethyl]cyclopent-2-en-1-yl] carbonate?
The IUPAC name of ethyl [(1R,4S)-4-[tri(propan-2-yl)silyloxymethyl]cyclopent-2-en-1-yl] carbonate (CID 25112093) is ethyl [(1R,4S)-4-[tri(propan-2-yl)silyloxymethyl]cyclopent-2-en-1-yl] carbonate.
What is the SMILES notation for ethyl [(1R,4S)-4-[tri(propan-2-yl)silyloxymethyl]cyclopent-2-en-1-yl] carbonate?
The canonical SMILES for ethyl [(1R,4S)-4-[tri(propan-2-yl)silyloxymethyl]cyclopent-2-en-1-yl] carbonate is CCOC(=O)O[C@H]1C=C[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)C1.
What is the InChIKey of ethyl [(1R,4S)-4-[tri(propan-2-yl)silyloxymethyl]cyclopent-2-en-1-yl] carbonate?
The InChIKey is PSQFLDYAGDYBMN-SJORKVTESA-N. The full InChI is InChI=1S/C18H34O4Si/c1-8-20-18(19)22-17-10-9-16(11-17)12-21-23(13(2)3,14(4)5)15(6)7/h9-10,13-17H,8,11-12H2,1-7H3/t16-,17+/m1/s1.
What are the key properties of ethyl [(1R,4S)-4-[tri(propan-2-yl)silyloxymethyl]cyclopent-2-en-1-yl] carbonate?
ethyl [(1R,4S)-4-[tri(propan-2-yl)silyloxymethyl]cyclopent-2-en-1-yl] carbonate has a molecular weight of 342.55 g/mol, XLogP of 5.30, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl [(1R,4S)-4-[tri(propan-2-yl)silyloxymethyl]cyclopent-2-en-1-yl] carbonate is sourced from PubChem (CID 25112093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).