tert-butyl 2-[[(1S,3S)-3-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]cyclohexyl]methoxy]acetate

C30H44O4Si — CID 71171552

IUPACtert-butyl 2-[[(1S,3S)-3-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]cyclohexyl]methoxy]acetate
SMILESCC(C)(C)OC(=O)COC[C@H]1CCC[C@@H](CCC(C)(C)[Si](O)(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C30H44O4Si/c1-29(2,3)34-28(31)23-33-22-25-14-12-13-24(21-25)19-20-30(4,5)35(32,26-15-8-6-9-16-26)27-17-10-7-11-18-27/h6-11,15-18,24-25,32H,12-14,19-23H2,1-5H3/t24-,25-/m0/s1
InChIKeyUXZNGHBWKVBXHW-DQEYMECFSA-N
MW496.76 g/mol
LogP5.46
Rot. Bonds10

About tert-butyl 2-[[(1S,3S)-3-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]cyclohexyl]methoxy]acetate

tert-butyl 2-[[(1S,3S)-3-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]cyclohexyl]methoxy]acetate (PubChem CID 71171552) has the molecular formula C30H44O4Si and a molecular weight of 496.76 g/mol. Its IUPAC name is tert-butyl 2-[[(1S,3S)-3-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]cyclohexyl]methoxy]acetate.

Molecular Properties

Compound Nametert-butyl 2-[[(1S,3S)-3-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]cyclohexyl]methoxy]acetate
PubChem CID71171552
Molecular FormulaC30H44O4Si
Molecular Weight496.76 g/mol
Exact Mass496.30
IUPAC Nametert-butyl 2-[[(1S,3S)-3-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]cyclohexyl]methoxy]acetate
SMILESCC(C)(C)OC(=O)COC[C@H]1CCC[C@@H](CCC(C)(C)[Si](O)(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C30H44O4Si/c1-29(2,3)34-28(31)23-33-22-25-14-12-13-24(21-25)19-20-30(4,5)35(32,26-15-8-6-9-16-26)27-17-10-7-11-18-27/h6-11,15-18,24-25,32H,12-14,19-23H2,1-5H3/t24-,25-/m0/s1
InChIKeyUXZNGHBWKVBXHW-DQEYMECFSA-N
XLogP5.46
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.76
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl 2-[[(1S,3S)-3-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]cyclohexyl]methoxy]acetate with MolForge

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Related Compounds

tert-butyl 2-[(3-hydroxycyclohexyl)methoxy]acetate;tert-butyl-methyl-diphenyl-λ4-sulfane
CID 142936166
tert-butyl 2-(cyclopentylmethoxy)acetate
CID 174164235
hydroxy-(2-methyl-4-piperidin-4-ylbutan-2-yl)-diphenylsilane
CID 171400301
tert-butyl 2-[[(3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexyl]methoxy]-2-methylpropanoate
CID 69060280
tert-butyl 4-[(1R,3R)-3-[tert-butyl(diphenyl)silyl]oxycyclohexyl]-2,2-dimethylbutanoate
CID 69241608
tert-butyl 4-[3-[tert-butyl(diphenyl)silyl]oxycyclohexyl]-2,2-dimethylbutanoate
CID 21082808
2-[[(3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexyl]methoxy]-2-methylpropanoic acid
CID 69058871
tert-butyl 3-[3-(2-ethylbutyl)cyclobutanecarbonyl]-7-[hydroxy(diphenyl)silyl]-7-methyloctanoate
CID 71127438
tert-butyl 2-[[4-[(4-bromo-3-methyl-5-phenylpyrazol-1-yl)methyl]cyclohexyl]methoxy]acetate
CID 67385328
tert-butyl N-[2-[(3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentyl]propan-2-yl]carbamate
CID 161390684
tert-butyl 2-[[4-[(5-ethoxy-3,4-diphenylpyrazol-1-yl)methyl]cyclohexyl]methoxy]acetate
CID 67385359
benzyl (2S)-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]methyl]piperidine-1-carboxylate
CID 129385635

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[(1S,3S)-3-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]cyclohexyl]methoxy]acetate?
The IUPAC name of tert-butyl 2-[[(1S,3S)-3-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]cyclohexyl]methoxy]acetate (CID 71171552) is tert-butyl 2-[[(1S,3S)-3-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]cyclohexyl]methoxy]acetate.
What is the SMILES notation for tert-butyl 2-[[(1S,3S)-3-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]cyclohexyl]methoxy]acetate?
The canonical SMILES for tert-butyl 2-[[(1S,3S)-3-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]cyclohexyl]methoxy]acetate is CC(C)(C)OC(=O)COC[C@H]1CCC[C@@H](CCC(C)(C)[Si](O)(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of tert-butyl 2-[[(1S,3S)-3-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]cyclohexyl]methoxy]acetate?
The InChIKey is UXZNGHBWKVBXHW-DQEYMECFSA-N. The full InChI is InChI=1S/C30H44O4Si/c1-29(2,3)34-28(31)23-33-22-25-14-12-13-24(21-25)19-20-30(4,5)35(32,26-15-8-6-9-16-26)27-17-10-7-11-18-27/h6-11,15-18,24-25,32H,12-14,19-23H2,1-5H3/t24-,25-/m0/s1.
What are the key properties of tert-butyl 2-[[(1S,3S)-3-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]cyclohexyl]methoxy]acetate?
tert-butyl 2-[[(1S,3S)-3-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]cyclohexyl]methoxy]acetate has a molecular weight of 496.76 g/mol, XLogP of 5.46, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[(1S,3S)-3-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]cyclohexyl]methoxy]acetate is sourced from PubChem (CID 71171552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).