[(1R,2S,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(2-phenylmethoxyethyl)cyclopentyl] acetate

C33H42O4Si — CID 11800366

IUPAC[(1R,2S,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(2-phenylmethoxyethyl)cyclopentyl] acetate
SMILESCC(=O)O[C@@H]1CC[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H]1CCOCc1ccccc1
InChIInChI=1S/C33H42O4Si/c1-26(34)37-32-21-20-28(31(32)22-23-35-24-27-14-8-5-9-15-27)25-36-38(33(2,3)4,29-16-10-6-11-17-29)30-18-12-7-13-19-30/h5-19,28,31-32H,20-25H2,1-4H3/t28-,31-,32+/m0/s1
InChIKeyCEWNFLGMAXFJHJ-JWBZKWLISA-N
MW530.78 g/mol
LogP6.13
Rot. Bonds11

About [(1R,2S,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(2-phenylmethoxyethyl)cyclopentyl] acetate

[(1R,2S,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(2-phenylmethoxyethyl)cyclopentyl] acetate (PubChem CID 11800366) has the molecular formula C33H42O4Si and a molecular weight of 530.78 g/mol. Its IUPAC name is [(1R,2S,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(2-phenylmethoxyethyl)cyclopentyl] acetate.

Molecular Properties

Compound Name[(1R,2S,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(2-phenylmethoxyethyl)cyclopentyl] acetate
PubChem CID11800366
Molecular FormulaC33H42O4Si
Molecular Weight530.78 g/mol
Exact Mass530.29
IUPAC Name[(1R,2S,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(2-phenylmethoxyethyl)cyclopentyl] acetate
SMILESCC(=O)O[C@@H]1CC[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H]1CCOCc1ccccc1
InChIInChI=1S/C33H42O4Si/c1-26(34)37-32-21-20-28(31(32)22-23-35-24-27-14-8-5-9-15-27)25-36-38(33(2,3)4,29-16-10-6-11-17-29)30-18-12-7-13-19-30/h5-19,28,31-32H,20-25H2,1-4H3/t28-,31-,32+/m0/s1
InChIKeyCEWNFLGMAXFJHJ-JWBZKWLISA-N
XLogP6.13
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.78
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-ol
CID 174251063
2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-ol
CID 74035630
[(2S,3R,4S,5S)-2-acetyloxy-5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-yl] acetate
CID 132519314
[(2S,3R,4S,5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-iodo-4,5-bis(phenylmethoxy)oxan-2-yl] acetate
CID 101363384
[(2S,3R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-decyloxan-3-yl] acetate
CID 101031088
1-[tert-butyl(diphenyl)silyl]oxy-5-phenylmethoxypentan-2-ol
CID 11762130
[(2S,3R,5R)-4-acetyloxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(hydroxymethyl)oxolan-3-yl] acetate
CID 58592657
[(2R,3S,5S,7S,8S,9R)-7-[tert-butyl(diphenyl)silyl]oxy-4,4,8-trimethyl-2-[(2R)-oxiran-2-yl]-9-(2-phenylmethoxyethyl)-1,10-dioxaspiro[4.5]decan-3-yl] acetate
CID 100997760
[(1S,2R,3S,4R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(2-ethoxyethoxy)-2-prop-2-ynylcyclopentyl] acetate
CID 71613528
tert-butyl (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(phenylmethoxymethyl)azetidine-1-carboxylate
CID 140904839
2-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]acetic acid
CID 146157316
[(1R,2S,3R)-2-(hydroxymethyl)-3-(phenylmethoxymethyl)cyclobutyl] acetate
CID 102074208

Frequently Asked Questions

What is the IUPAC name of [(1R,2S,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(2-phenylmethoxyethyl)cyclopentyl] acetate?
The IUPAC name of [(1R,2S,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(2-phenylmethoxyethyl)cyclopentyl] acetate (CID 11800366) is [(1R,2S,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(2-phenylmethoxyethyl)cyclopentyl] acetate.
What is the SMILES notation for [(1R,2S,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(2-phenylmethoxyethyl)cyclopentyl] acetate?
The canonical SMILES for [(1R,2S,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(2-phenylmethoxyethyl)cyclopentyl] acetate is CC(=O)O[C@@H]1CC[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H]1CCOCc1ccccc1.
What is the InChIKey of [(1R,2S,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(2-phenylmethoxyethyl)cyclopentyl] acetate?
The InChIKey is CEWNFLGMAXFJHJ-JWBZKWLISA-N. The full InChI is InChI=1S/C33H42O4Si/c1-26(34)37-32-21-20-28(31(32)22-23-35-24-27-14-8-5-9-15-27)25-36-38(33(2,3)4,29-16-10-6-11-17-29)30-18-12-7-13-19-30/h5-19,28,31-32H,20-25H2,1-4H3/t28-,31-,32+/m0/s1.
What are the key properties of [(1R,2S,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(2-phenylmethoxyethyl)cyclopentyl] acetate?
[(1R,2S,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(2-phenylmethoxyethyl)cyclopentyl] acetate has a molecular weight of 530.78 g/mol, XLogP of 6.13, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(2-phenylmethoxyethyl)cyclopentyl] acetate is sourced from PubChem (CID 11800366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).