cis-tert-butyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-formylcyclopentane-1-carboxylate

C17H32O4Si — CID 163443055

IUPACcis-tert-butyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-formylcyclopentane-1-carboxylate
SMILESCC(C)(C)OC(=O)C1C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1C=O
InChIInChI=1S/C17H32O4Si/c1-16(2,3)20-15(19)14-10-13(9-12(14)11-18)21-22(7,8)17(4,5)6/h11-14H,9-10H2,1-8H3/t12-,13+,14?/m1/s1
InChIKeyBAEXPETUHLRKHM-AMIUJLCOSA-N
MW328.53 g/mol
LogP3.94
Rot. Bonds4

About cis-tert-butyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-formylcyclopentane-1-carboxylate

cis-tert-butyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-formylcyclopentane-1-carboxylate (PubChem CID 163443055) has the molecular formula C17H32O4Si and a molecular weight of 328.53 g/mol. Its IUPAC name is cis-tert-butyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-formylcyclopentane-1-carboxylate.

Molecular Properties

Compound Namecis-tert-butyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-formylcyclopentane-1-carboxylate
PubChem CID163443055
Molecular FormulaC17H32O4Si
Molecular Weight328.53 g/mol
Exact Mass328.21
IUPAC Namecis-tert-butyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-formylcyclopentane-1-carboxylate
SMILESCC(C)(C)OC(=O)C1C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1C=O
InChIInChI=1S/C17H32O4Si/c1-16(2,3)20-15(19)14-10-13(9-12(14)11-18)21-22(7,8)17(4,5)6/h11-14H,9-10H2,1-8H3/t12-,13+,14?/m1/s1
InChIKeyBAEXPETUHLRKHM-AMIUJLCOSA-N
XLogP3.94
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.53
LogP ≤ 53.94
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

methyl (1R,2S,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylcyclopentane-1-carboxylate
CID 11015241
2-(2-Formyl-3-methyl-4-trimethylsilyloxycyclopentyl)propan-2-yl acetate
CID 19349298
tert-butyl 2-[(1S,2S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-4-formylcyclopentyl]acetate
CID 58520761
Ethyl 4-(tert-butyldimethylsilyloxy)-2-ethylcyclopentanecarboxylate
CID 58557197
methyl 7-[(2S,5S)-2-acetyloxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentyl]heptanoate
CID 58696583
methyl 7-[(1R,2S,5S)-2-acetyloxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentyl]heptanoate
CID 58749584
trans-ethyl (1R,2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methanidylcyclopentane-1-carboxylate;yttrium
CID 59619268
(1R,2R)-4-(tert-Butyl-dimethyl-silanyloxy)-cyclopentane-1,2-dicarboxylic acid monoethyl ester
CID 59619299
cis-ethyl (1R,2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethylcyclopentane-1-carboxylate
CID 59619347
(1R,2R)-4-(tert-Butyl-dimethyl-silanyloxy)-cyclopentane-1,2-dicarboxylic acid 1-ethyl ester 2-(tert-Butyl-dimethyl-silanyl) Ester
CID 59619369
(1R,2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethoxycarbonylcyclopentane-1-carboxylic acid
CID 59619426
(1R,2R)-4-(tert-Butyl-dimethyl-silanyloxy)-2-hydroxymethyl-cyclopentanecarboxylic acid ethyl ester
CID 59619451

Frequently Asked Questions

What is the IUPAC name of cis-tert-butyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-formylcyclopentane-1-carboxylate?
The IUPAC name of cis-tert-butyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-formylcyclopentane-1-carboxylate (CID 163443055) is cis-tert-butyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-formylcyclopentane-1-carboxylate.
What is the SMILES notation for cis-tert-butyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-formylcyclopentane-1-carboxylate?
The canonical SMILES for cis-tert-butyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-formylcyclopentane-1-carboxylate is CC(C)(C)OC(=O)C1C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1C=O.
What is the InChIKey of cis-tert-butyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-formylcyclopentane-1-carboxylate?
The InChIKey is BAEXPETUHLRKHM-AMIUJLCOSA-N. The full InChI is InChI=1S/C17H32O4Si/c1-16(2,3)20-15(19)14-10-13(9-12(14)11-18)21-22(7,8)17(4,5)6/h11-14H,9-10H2,1-8H3/t12-,13+,14?/m1/s1.
What are the key properties of cis-tert-butyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-formylcyclopentane-1-carboxylate?
cis-tert-butyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-formylcyclopentane-1-carboxylate has a molecular weight of 328.53 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-tert-butyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-formylcyclopentane-1-carboxylate is sourced from PubChem (CID 163443055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).