methyl (1R,2R)-2-acetyloxy-1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopent-3-ene-1-carboxylate

C26H32O5Si — CID 67024439

IUPACmethyl (1R,2R)-2-acetyloxy-1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopent-3-ene-1-carboxylate
SMILESCOC(=O)[C@@]1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC=C[C@H]1OC(C)=O
InChIInChI=1S/C26H32O5Si/c1-20(27)31-23-17-12-18-26(23,24(28)29-5)19-30-32(25(2,3)4,21-13-8-6-9-14-21)22-15-10-7-11-16-22/h6-17,23H,18-19H2,1-5H3/t23-,26-/m1/s1
InChIKeyGSAHIHWKTOPREH-ZEQKJWHPSA-N
MW452.62 g/mol
LogP3.61
Rot. Bonds7

About methyl (1R,2R)-2-acetyloxy-1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopent-3-ene-1-carboxylate

methyl (1R,2R)-2-acetyloxy-1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopent-3-ene-1-carboxylate (PubChem CID 67024439) has the molecular formula C26H32O5Si and a molecular weight of 452.62 g/mol. Its IUPAC name is methyl (1R,2R)-2-acetyloxy-1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopent-3-ene-1-carboxylate.

Molecular Properties

Compound Namemethyl (1R,2R)-2-acetyloxy-1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopent-3-ene-1-carboxylate
PubChem CID67024439
Molecular FormulaC26H32O5Si
Molecular Weight452.62 g/mol
Exact Mass452.20
IUPAC Namemethyl (1R,2R)-2-acetyloxy-1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopent-3-ene-1-carboxylate
SMILESCOC(=O)[C@@]1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC=C[C@H]1OC(C)=O
InChIInChI=1S/C26H32O5Si/c1-20(27)31-23-17-12-18-26(23,24(28)29-5)19-30-32(25(2,3)4,21-13-8-6-9-14-21)22-15-10-7-11-16-22/h6-17,23H,18-19H2,1-5H3/t23-,26-/m1/s1
InChIKeyGSAHIHWKTOPREH-ZEQKJWHPSA-N
XLogP3.61
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.62
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl (1R,2R)-2-acetyloxy-1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopent-3-ene-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

methyl 4-[[tert-butyl(diphenyl)silyl]oxymethyl]bicyclo[2.2.2]octane-1-carboxylate
CID 142526845
[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-dioxolan-2-yl] acetate
CID 67792078
methyl (1S,2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-[(4-methoxyphenyl)methoxy]cyclopent-3-ene-1-carboxylate
CID 102211154
methyl (1S,5S,6S)-1-[[tert-butyl(diphenyl)silyl]oxymethyl]-5,6-bis(methoxymethoxy)cyclohex-2-ene-1-carboxylate
CID 102039676
[(2S,3R,5R)-4-acetyloxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(hydroxymethyl)oxolan-3-yl] acetate
CID 58592657
methyl (1R,2R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2-dimethylcyclohex-3-ene-1-carboxylate
CID 102593768
tert-butyl-[[(2S)-2-methyloxiran-2-yl]methoxy]-diphenylsilane
CID 11290341
[(3R,4S,5R)-3-acetyloxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-3,4-dihydro-2H-furan-2-id-5-yl]methyl acetate;uranium
CID 59509737
[(3aS,4R,6R,7R,7aS)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-4-sulfanyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl] acetate
CID 12000417
[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl] N-methylcarbamate
CID 91395092
1-bicyclo[1.1.1]pentanylmethoxy-tert-butyl-diphenylsilane
CID 142733105
1-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,5-dimethylcyclohexa-2,5-diene-1-carboxylic acid
CID 135075131

Frequently Asked Questions

What is the IUPAC name of methyl (1R,2R)-2-acetyloxy-1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopent-3-ene-1-carboxylate?
The IUPAC name of methyl (1R,2R)-2-acetyloxy-1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopent-3-ene-1-carboxylate (CID 67024439) is methyl (1R,2R)-2-acetyloxy-1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopent-3-ene-1-carboxylate.
What is the SMILES notation for methyl (1R,2R)-2-acetyloxy-1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopent-3-ene-1-carboxylate?
The canonical SMILES for methyl (1R,2R)-2-acetyloxy-1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopent-3-ene-1-carboxylate is COC(=O)[C@@]1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC=C[C@H]1OC(C)=O.
What is the InChIKey of methyl (1R,2R)-2-acetyloxy-1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopent-3-ene-1-carboxylate?
The InChIKey is GSAHIHWKTOPREH-ZEQKJWHPSA-N. The full InChI is InChI=1S/C26H32O5Si/c1-20(27)31-23-17-12-18-26(23,24(28)29-5)19-30-32(25(2,3)4,21-13-8-6-9-14-21)22-15-10-7-11-16-22/h6-17,23H,18-19H2,1-5H3/t23-,26-/m1/s1.
What are the key properties of methyl (1R,2R)-2-acetyloxy-1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopent-3-ene-1-carboxylate?
methyl (1R,2R)-2-acetyloxy-1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopent-3-ene-1-carboxylate has a molecular weight of 452.62 g/mol, XLogP of 3.61, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R,2R)-2-acetyloxy-1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopent-3-ene-1-carboxylate is sourced from PubChem (CID 67024439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).