tert-butyl 2-[(1S,2S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-4-formylcyclopentyl]acetate

C18H34O4Si — CID 58520761

IUPACtert-butyl 2-[(1S,2S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-4-formylcyclopentyl]acetate
SMILESCC(C)(C)OC(=O)C[C@@H]1C[C@H](C=O)C[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H34O4Si/c1-17(2,3)21-16(20)11-14-9-13(12-19)10-15(14)22-23(7,8)18(4,5)6/h12-15H,9-11H2,1-8H3/t13-,14-,15-/m0/s1
InChIKeyQKDOLOGZYJBDEL-KKUMJFAQSA-N
MW342.55 g/mol
LogP4.33
Rot. Bonds5

About tert-butyl 2-[(1S,2S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-4-formylcyclopentyl]acetate

tert-butyl 2-[(1S,2S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-4-formylcyclopentyl]acetate (PubChem CID 58520761) has the molecular formula C18H34O4Si and a molecular weight of 342.55 g/mol. Its IUPAC name is tert-butyl 2-[(1S,2S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-4-formylcyclopentyl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[(1S,2S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-4-formylcyclopentyl]acetate
PubChem CID58520761
Molecular FormulaC18H34O4Si
Molecular Weight342.55 g/mol
Exact Mass342.22
IUPAC Nametert-butyl 2-[(1S,2S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-4-formylcyclopentyl]acetate
SMILESCC(C)(C)OC(=O)C[C@@H]1C[C@H](C=O)C[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H34O4Si/c1-17(2,3)21-16(20)11-14-9-13(12-19)10-15(14)22-23(7,8)18(4,5)6/h12-15H,9-11H2,1-8H3/t13-,14-,15-/m0/s1
InChIKeyQKDOLOGZYJBDEL-KKUMJFAQSA-N
XLogP4.33
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.55
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl (4R,8R)-4-[tert-butyl(dimethyl)silyl]oxy-8-methyl-9-oxononanoate
CID 134839543
2-(2-Formyl-3-methyl-4-trimethylsilyloxycyclopentyl)propan-2-yl acetate
CID 19349298
(1S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 58520779
tert-butyl 2-[(1S,2S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-4-(hydroxymethyl)cyclopentyl]acetate
CID 58520807
Tert-butyl 2-[2-[tert-butyl(dimethyl)silyl]oxy-4-formylcyclopentyl]acetate
CID 76811169
3-[Tert-butyl(dimethyl)silyl]oxy-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 76811183
Tert-butyl 2-[2-[tert-butyl(dimethyl)silyl]oxy-4-(hydroxymethyl)cyclopentyl]acetate
CID 76811204
Tert-butyl 2-[4-formyl-2-(2,3,3-trimethylbutan-2-yloxy)cyclopentyl]acetate
CID 90899241
Methyl 7-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(3-oxopropyl)cyclopentyl]octanoate
CID 91139778
Tert-butyl 3-[2-[tert-butyl(dimethyl)silyl]oxy-4-(hydroxymethyl)cyclopentyl]propanoate
CID 123949510
cis-tert-butyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-formylcyclopentane-1-carboxylate
CID 163443055
Ethyl 2-[4-methyl-2-(3-methylsilylpropoxy)cyclopentyl]acetate
CID 173489145

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(1S,2S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-4-formylcyclopentyl]acetate?
The IUPAC name of tert-butyl 2-[(1S,2S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-4-formylcyclopentyl]acetate (CID 58520761) is tert-butyl 2-[(1S,2S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-4-formylcyclopentyl]acetate.
What is the SMILES notation for tert-butyl 2-[(1S,2S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-4-formylcyclopentyl]acetate?
The canonical SMILES for tert-butyl 2-[(1S,2S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-4-formylcyclopentyl]acetate is CC(C)(C)OC(=O)C[C@@H]1C[C@H](C=O)C[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl 2-[(1S,2S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-4-formylcyclopentyl]acetate?
The InChIKey is QKDOLOGZYJBDEL-KKUMJFAQSA-N. The full InChI is InChI=1S/C18H34O4Si/c1-17(2,3)21-16(20)11-14-9-13(12-19)10-15(14)22-23(7,8)18(4,5)6/h12-15H,9-11H2,1-8H3/t13-,14-,15-/m0/s1.
What are the key properties of tert-butyl 2-[(1S,2S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-4-formylcyclopentyl]acetate?
tert-butyl 2-[(1S,2S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-4-formylcyclopentyl]acetate has a molecular weight of 342.55 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(1S,2S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-4-formylcyclopentyl]acetate is sourced from PubChem (CID 58520761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).