[(3R,4R)-3-[[dimethyl(phenyl)silyl]methyl]-1-(methoxymethyl)-4-methylcyclopentyl] acetate

C19H30O3Si — CID 100995200

IUPAC[(3R,4R)-3-[[dimethyl(phenyl)silyl]methyl]-1-(methoxymethyl)-4-methylcyclopentyl] acetate
SMILESCOCC1(OC(C)=O)C[C@@H](C[Si](C)(C)c2ccccc2)[C@H](C)C1
InChIInChI=1S/C19H30O3Si/c1-15-11-19(14-21-3,22-16(2)20)12-17(15)13-23(4,5)18-9-7-6-8-10-18/h6-10,15,17H,11-14H2,1-5H3/t15-,17+,19?/m1/s1
InChIKeyDYBXXICDQHQFOG-GIAWROPOSA-N
MW334.53 g/mol
LogP3.60
Rot. Bonds6

About [(3R,4R)-3-[[dimethyl(phenyl)silyl]methyl]-1-(methoxymethyl)-4-methylcyclopentyl] acetate

[(3R,4R)-3-[[dimethyl(phenyl)silyl]methyl]-1-(methoxymethyl)-4-methylcyclopentyl] acetate (PubChem CID 100995200) has the molecular formula C19H30O3Si and a molecular weight of 334.53 g/mol. Its IUPAC name is [(3R,4R)-3-[[dimethyl(phenyl)silyl]methyl]-1-(methoxymethyl)-4-methylcyclopentyl] acetate.

Molecular Properties

Compound Name[(3R,4R)-3-[[dimethyl(phenyl)silyl]methyl]-1-(methoxymethyl)-4-methylcyclopentyl] acetate
PubChem CID100995200
Molecular FormulaC19H30O3Si
Molecular Weight334.53 g/mol
Exact Mass334.20
IUPAC Name[(3R,4R)-3-[[dimethyl(phenyl)silyl]methyl]-1-(methoxymethyl)-4-methylcyclopentyl] acetate
SMILESCOCC1(OC(C)=O)C[C@@H](C[Si](C)(C)c2ccccc2)[C@H](C)C1
InChIInChI=1S/C19H30O3Si/c1-15-11-19(14-21-3,22-16(2)20)12-17(15)13-23(4,5)18-9-7-6-8-10-18/h6-10,15,17H,11-14H2,1-5H3/t15-,17+,19?/m1/s1
InChIKeyDYBXXICDQHQFOG-GIAWROPOSA-N
XLogP3.60
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.53
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

cis-dimethyl (3R,4R)-3-[[dimethyl(phenyl)silyl]methyl]-4-methylcyclopentane-1,1-dicarboxylate
CID 11783022
cis-methyl (3R,4R)-3-[[dimethyl(phenyl)silyl]methyl]-4-methyl-1-phenylcyclopentane-1-carboxylate
CID 10832748
dimethyl (3S,3aS,7aR)-3-[[dimethyl(phenyl)silyl]methyl]-2,3,3a,4,5,6,7,7a-octahydroindene-1,1-dicarboxylate
CID 10572379
(4S,5R)-4-[[dimethyl(phenyl)silyl]methyl]-5-ethyloxolan-2-one
CID 10264713
[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-dioxolan-2-yl] acetate
CID 67792078
benzyl 2-(methoxymethyl)oxirane-2-carboxylate
CID 134309660
cis-ethyl (1R,2R)-1-[dimethyl(phenyl)silyl]-2-methylcyclopropane-1-carboxylate
CID 101464653
[(2S,4S)-2-(methoxymethyl)-2,4-dimethyl-1,3-dioxolan-4-yl]-phenylmethanone
CID 54245313
2-methoxyethyl-dimethyl-phenylsilane
CID 123175505
(methoxy-methyl-phenylsilyl) acetate
CID 122395154
lithium;cyclopenta-2,4-dien-1-ylmethyl-dimethyl-phenylsilane;hydride
CID 174773742
[(3R,5R)-1-tert-butyl-5-methyl-3-phenylpiperidin-1-ium-3-yl] acetate
CID 7079722

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-3-[[dimethyl(phenyl)silyl]methyl]-1-(methoxymethyl)-4-methylcyclopentyl] acetate?
The IUPAC name of [(3R,4R)-3-[[dimethyl(phenyl)silyl]methyl]-1-(methoxymethyl)-4-methylcyclopentyl] acetate (CID 100995200) is [(3R,4R)-3-[[dimethyl(phenyl)silyl]methyl]-1-(methoxymethyl)-4-methylcyclopentyl] acetate.
What is the SMILES notation for [(3R,4R)-3-[[dimethyl(phenyl)silyl]methyl]-1-(methoxymethyl)-4-methylcyclopentyl] acetate?
The canonical SMILES for [(3R,4R)-3-[[dimethyl(phenyl)silyl]methyl]-1-(methoxymethyl)-4-methylcyclopentyl] acetate is COCC1(OC(C)=O)C[C@@H](C[Si](C)(C)c2ccccc2)[C@H](C)C1.
What is the InChIKey of [(3R,4R)-3-[[dimethyl(phenyl)silyl]methyl]-1-(methoxymethyl)-4-methylcyclopentyl] acetate?
The InChIKey is DYBXXICDQHQFOG-GIAWROPOSA-N. The full InChI is InChI=1S/C19H30O3Si/c1-15-11-19(14-21-3,22-16(2)20)12-17(15)13-23(4,5)18-9-7-6-8-10-18/h6-10,15,17H,11-14H2,1-5H3/t15-,17+,19?/m1/s1.
What are the key properties of [(3R,4R)-3-[[dimethyl(phenyl)silyl]methyl]-1-(methoxymethyl)-4-methylcyclopentyl] acetate?
[(3R,4R)-3-[[dimethyl(phenyl)silyl]methyl]-1-(methoxymethyl)-4-methylcyclopentyl] acetate has a molecular weight of 334.53 g/mol, XLogP of 3.60, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-3-[[dimethyl(phenyl)silyl]methyl]-1-(methoxymethyl)-4-methylcyclopentyl] acetate is sourced from PubChem (CID 100995200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).