(1S,2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1,2-dimethyl-2-(4-methylphenyl)cyclopentane-1-carbaldehyde

C21H34O2Si — CID 11256500

IUPAC(1S,2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1,2-dimethyl-2-(4-methylphenyl)cyclopentane-1-carbaldehyde
SMILESCc1ccc([C@]2(C)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@]2(C)C=O)cc1
InChIInChI=1S/C21H34O2Si/c1-16-9-11-17(12-10-16)21(6)14-18(13-20(21,5)15-22)23-24(7,8)19(2,3)4/h9-12,15,18H,13-14H2,1-8H3/t18-,20+,21-/m0/s1
InChIKeyLVFVUFFEGLSHEQ-TYPHKJRUSA-N
MW346.59 g/mol
LogP5.64
Rot. Bonds4

About (1S,2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1,2-dimethyl-2-(4-methylphenyl)cyclopentane-1-carbaldehyde

(1S,2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1,2-dimethyl-2-(4-methylphenyl)cyclopentane-1-carbaldehyde (PubChem CID 11256500) has the molecular formula C21H34O2Si and a molecular weight of 346.59 g/mol. Its IUPAC name is (1S,2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1,2-dimethyl-2-(4-methylphenyl)cyclopentane-1-carbaldehyde.

Molecular Properties

Compound Name(1S,2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1,2-dimethyl-2-(4-methylphenyl)cyclopentane-1-carbaldehyde
PubChem CID11256500
Molecular FormulaC21H34O2Si
Molecular Weight346.59 g/mol
Exact Mass346.23
IUPAC Name(1S,2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1,2-dimethyl-2-(4-methylphenyl)cyclopentane-1-carbaldehyde
SMILESCc1ccc([C@]2(C)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@]2(C)C=O)cc1
InChIInChI=1S/C21H34O2Si/c1-16-9-11-17(12-10-16)21(6)14-18(13-20(21,5)15-22)23-24(7,8)19(2,3)4/h9-12,15,18H,13-14H2,1-8H3/t18-,20+,21-/m0/s1
InChIKeyLVFVUFFEGLSHEQ-TYPHKJRUSA-N
XLogP5.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.59
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (1S,2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1,2-dimethyl-2-(4-methylphenyl)cyclopentane-1-carboxylate
CID 11234702
3-[tert-butyl(dimethyl)silyl]oxy-1-(3,4-dichlorophenyl)cyclobutane-1-carbaldehyde
CID 90266303
[(1S,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl] 4-methylbenzenesulfonate
CID 154451840
4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-3,4-dihydropyran-6-carbaldehyde
CID 10588142
tert-butyl-dimethyl-[(4-methylphenyl)methoxy]silane
CID 21304531
[(4aS,6S)-1,4a-dimethyl-3,4,5,6,7,8-hexahydrobenzo[7]annulen-6-yl]oxy-tert-butyl-dimethylsilane
CID 10040842
[3-bromo-2-(4-methylphenyl)cyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane
CID 138111138
2-methyl-2-(4-methylphenyl)cyclopropane-1-carbaldehyde
CID 105435846
2,7-bis[4-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]phenyl]-1,3,6,8-tetrahydropyrene-2,7-dicarbaldehyde
CID 101466919
(E)-3-[(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]prop-2-enenitrile
CID 11143971
[1-(5-bromopyrimidin-2-yl)-3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]oxy-tert-butyl-dimethylsilane
CID 140746347
(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxooxane-2-carbaldehyde
CID 58858615

Frequently Asked Questions

What is the IUPAC name of (1S,2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1,2-dimethyl-2-(4-methylphenyl)cyclopentane-1-carbaldehyde?
The IUPAC name of (1S,2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1,2-dimethyl-2-(4-methylphenyl)cyclopentane-1-carbaldehyde (CID 11256500) is (1S,2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1,2-dimethyl-2-(4-methylphenyl)cyclopentane-1-carbaldehyde.
What is the SMILES notation for (1S,2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1,2-dimethyl-2-(4-methylphenyl)cyclopentane-1-carbaldehyde?
The canonical SMILES for (1S,2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1,2-dimethyl-2-(4-methylphenyl)cyclopentane-1-carbaldehyde is Cc1ccc([C@]2(C)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@]2(C)C=O)cc1.
What is the InChIKey of (1S,2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1,2-dimethyl-2-(4-methylphenyl)cyclopentane-1-carbaldehyde?
The InChIKey is LVFVUFFEGLSHEQ-TYPHKJRUSA-N. The full InChI is InChI=1S/C21H34O2Si/c1-16-9-11-17(12-10-16)21(6)14-18(13-20(21,5)15-22)23-24(7,8)19(2,3)4/h9-12,15,18H,13-14H2,1-8H3/t18-,20+,21-/m0/s1.
What are the key properties of (1S,2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1,2-dimethyl-2-(4-methylphenyl)cyclopentane-1-carbaldehyde?
(1S,2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1,2-dimethyl-2-(4-methylphenyl)cyclopentane-1-carbaldehyde has a molecular weight of 346.59 g/mol, XLogP of 5.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1,2-dimethyl-2-(4-methylphenyl)cyclopentane-1-carbaldehyde is sourced from PubChem (CID 11256500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).