tert-butyl-hydroxy-dimethylsilane;methyl 5-(phenylmethoxymethyl)cyclopentene-1-carboxylate

C21H34O4Si — CID 174868783

IUPACtert-butyl-hydroxy-dimethylsilane;methyl 5-(phenylmethoxymethyl)cyclopentene-1-carboxylate
SMILESCC(C)(C)[Si](C)(C)O.COC(=O)C1=CCCC1COCc1ccccc1
InChIInChI=1S/C15H18O3.C6H16OSi/c1-17-15(16)14-9-5-8-13(14)11-18-10-12-6-3-2-4-7-12;1-6(2,3)8(4,5)7/h2-4,6-7,9,13H,5,8,10-11H2,1H3;7H,1-5H3
InChIKeyQYYVGEPIRFWPKX-UHFFFAOYSA-N
MW378.59 g/mol
LogP4.70
Rot. Bonds5

About tert-butyl-hydroxy-dimethylsilane;methyl 5-(phenylmethoxymethyl)cyclopentene-1-carboxylate

tert-butyl-hydroxy-dimethylsilane;methyl 5-(phenylmethoxymethyl)cyclopentene-1-carboxylate (PubChem CID 174868783) has the molecular formula C21H34O4Si and a molecular weight of 378.59 g/mol. Its IUPAC name is tert-butyl-hydroxy-dimethylsilane;methyl 5-(phenylmethoxymethyl)cyclopentene-1-carboxylate.

Molecular Properties

Compound Nametert-butyl-hydroxy-dimethylsilane;methyl 5-(phenylmethoxymethyl)cyclopentene-1-carboxylate
PubChem CID174868783
Molecular FormulaC21H34O4Si
Molecular Weight378.59 g/mol
Exact Mass378.22
IUPAC Nametert-butyl-hydroxy-dimethylsilane;methyl 5-(phenylmethoxymethyl)cyclopentene-1-carboxylate
SMILESCC(C)(C)[Si](C)(C)O.COC(=O)C1=CCCC1COCc1ccccc1
InChIInChI=1S/C15H18O3.C6H16OSi/c1-17-15(16)14-9-5-8-13(14)11-18-10-12-6-3-2-4-7-12;1-6(2,3)8(4,5)7/h2-4,6-7,9,13H,5,8,10-11H2,1H3;7H,1-5H3
InChIKeyQYYVGEPIRFWPKX-UHFFFAOYSA-N
XLogP4.70
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.59
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl (2S,3R)-3-(phenylmethoxymethyl)oxirane-2-carboxylate
CID 101113540
1-O-benzyl 6-O-methyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4-dihydro-2H-pyridine-1,6-dicarboxylate
CID 11519560
methyl (2S,5R)-5-(phenylmethoxymethyl)piperidine-2-carboxylate
CID 159350997
methyl 2-[5-(phenylmethoxymethyl)oxolan-2-yl]acetate
CID 72501445
methyl (2S,3R,4R)-3-hydroxy-4-(phenylmethoxymethyl)oxetane-2-carboxylate
CID 15546087
methyl 5-(phenylmethoxymethyl)piperidine-2-carboxylate;hydrochloride
CID 171364018
methyl (5R)-5-tert-butylcyclopentene-1-carboxylate
CID 101263082
methyl (2R,3S)-3-methyl-2-(3-phenylmethoxypropyl)-3,4-dihydro-2H-pyran-6-carboxylate
CID 15984755
dimethyl cyclopent-2-ene-1,2-dicarboxylate
CID 14936178
methyl 4-tert-butyl-1-(phenylmethoxymethyl)cyclohexane-1-carboxylate
CID 118337335
methyl 2-[3-(phenylmethoxymethyl)cyclobutyl]acetate
CID 59252300
6-(phenylmethoxymethyl)-5,6-dihydro-4H-oxazine-3-carboxylic acid
CID 129201849

Frequently Asked Questions

What is the IUPAC name of tert-butyl-hydroxy-dimethylsilane;methyl 5-(phenylmethoxymethyl)cyclopentene-1-carboxylate?
The IUPAC name of tert-butyl-hydroxy-dimethylsilane;methyl 5-(phenylmethoxymethyl)cyclopentene-1-carboxylate (CID 174868783) is tert-butyl-hydroxy-dimethylsilane;methyl 5-(phenylmethoxymethyl)cyclopentene-1-carboxylate.
What is the SMILES notation for tert-butyl-hydroxy-dimethylsilane;methyl 5-(phenylmethoxymethyl)cyclopentene-1-carboxylate?
The canonical SMILES for tert-butyl-hydroxy-dimethylsilane;methyl 5-(phenylmethoxymethyl)cyclopentene-1-carboxylate is CC(C)(C)[Si](C)(C)O.COC(=O)C1=CCCC1COCc1ccccc1.
What is the InChIKey of tert-butyl-hydroxy-dimethylsilane;methyl 5-(phenylmethoxymethyl)cyclopentene-1-carboxylate?
The InChIKey is QYYVGEPIRFWPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O3.C6H16OSi/c1-17-15(16)14-9-5-8-13(14)11-18-10-12-6-3-2-4-7-12;1-6(2,3)8(4,5)7/h2-4,6-7,9,13H,5,8,10-11H2,1H3;7H,1-5H3.
What are the key properties of tert-butyl-hydroxy-dimethylsilane;methyl 5-(phenylmethoxymethyl)cyclopentene-1-carboxylate?
tert-butyl-hydroxy-dimethylsilane;methyl 5-(phenylmethoxymethyl)cyclopentene-1-carboxylate has a molecular weight of 378.59 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-hydroxy-dimethylsilane;methyl 5-(phenylmethoxymethyl)cyclopentene-1-carboxylate is sourced from PubChem (CID 174868783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).