1-phenylethenoxymethylsilane;silylmethyl acetate;silylmethyl cyclohexanecarboxylate;silylmethyl cyclopentanecarboxylate;silylmethyl 2,2-dimethylpropanoate;silylmethyl 2-methylbutanoate;silylmethyl 2-methylpropanoate;silylmethyl propanoate

C48H100O15Si8 — CID 165068596

IUPAC1-phenylethenoxymethylsilane;silylmethyl acetate;silylmethyl cyclohexanecarboxylate;silylmethyl cyclopentanecarboxylate;silylmethyl 2,2-dimethylpropanoate;silylmethyl 2-methylbutanoate;silylmethyl 2-methylpropanoate;silylmethyl propanoate
SMILESC=C(OC[SiH3])c1ccccc1.CC(=O)OC[SiH3].CC(C)(C)C(=O)OC[SiH3].CC(C)C(=O)OC[SiH3].CCC(=O)OC[SiH3].CCC(C)C(=O)OC[SiH3].O=C(OC[SiH3])C1CCCC1.O=C(OC[SiH3])C1CCCCC1
InChIInChI=1S/C9H12OSi.C8H16O2Si.C7H14O2Si.2C6H14O2Si.C5H12O2Si.C4H10O2Si.C3H8O2Si/c1-8(10-7-11)9-5-3-2-4-6-9;9-8(10-6-11)7-4-2-1-3-5-7;8-7(9-5-10)6-3-1-2-4-6;1-6(2,3)5(7)8-4-9;1-3-5(2)6(7)8-4-9;1-4(2)5(6)7-3-8;1-2-4(5)6-3-7;1-3(4)5-2-6/h2-6H,1,7H2,11H3;7H,1-6H2,11H3;6H,1-5H2,10H3;4H2,1-3,9H3;5H,3-4H2,1-2,9H3;4H,3H2,1-2,8H3;2-3H2,1,7H3;2H2,1,6H3
InChIKeySJLDHLBTGDLTKZ-UHFFFAOYSA-N
MW1142.00 g/mol
LogP-1.09
Rot. Bonds16

About 1-phenylethenoxymethylsilane;silylmethyl acetate;silylmethyl cyclohexanecarboxylate;silylmethyl cyclopentanecarboxylate;silylmethyl 2,2-dimethylpropanoate;silylmethyl 2-methylbutanoate;silylmethyl 2-methylpropanoate;silylmethyl propanoate

1-phenylethenoxymethylsilane;silylmethyl acetate;silylmethyl cyclohexanecarboxylate;silylmethyl cyclopentanecarboxylate;silylmethyl 2,2-dimethylpropanoate;silylmethyl 2-methylbutanoate;silylmethyl 2-methylpropanoate;silylmethyl propanoate (PubChem CID 165068596) has the molecular formula C48H100O15Si8 and a molecular weight of 1142.00 g/mol. Its IUPAC name is 1-phenylethenoxymethylsilane;silylmethyl acetate;silylmethyl cyclohexanecarboxylate;silylmethyl cyclopentanecarboxylate;silylmethyl 2,2-dimethylpropanoate;silylmethyl 2-methylbutanoate;silylmethyl 2-methylpropanoate;silylmethyl propanoate.

Molecular Properties

Compound Name1-phenylethenoxymethylsilane;silylmethyl acetate;silylmethyl cyclohexanecarboxylate;silylmethyl cyclopentanecarboxylate;silylmethyl 2,2-dimethylpropanoate;silylmethyl 2-methylbutanoate;silylmethyl 2-methylpropanoate;silylmethyl propanoate
PubChem CID165068596
Molecular FormulaC48H100O15Si8
Molecular Weight1142.00 g/mol
Exact Mass1140.52
IUPAC Name1-phenylethenoxymethylsilane;silylmethyl acetate;silylmethyl cyclohexanecarboxylate;silylmethyl cyclopentanecarboxylate;silylmethyl 2,2-dimethylpropanoate;silylmethyl 2-methylbutanoate;silylmethyl 2-methylpropanoate;silylmethyl propanoate
SMILESC=C(OC[SiH3])c1ccccc1.CC(=O)OC[SiH3].CC(C)(C)C(=O)OC[SiH3].CC(C)C(=O)OC[SiH3].CCC(=O)OC[SiH3].CCC(C)C(=O)OC[SiH3].O=C(OC[SiH3])C1CCCC1.O=C(OC[SiH3])C1CCCCC1
InChIInChI=1S/C9H12OSi.C8H16O2Si.C7H14O2Si.2C6H14O2Si.C5H12O2Si.C4H10O2Si.C3H8O2Si/c1-8(10-7-11)9-5-3-2-4-6-9;9-8(10-6-11)7-4-2-1-3-5-7;8-7(9-5-10)6-3-1-2-4-6;1-6(2,3)5(7)8-4-9;1-3-5(2)6(7)8-4-9;1-4(2)5(6)7-3-8;1-2-4(5)6-3-7;1-3(4)5-2-6/h2-6H,1,7H2,11H3;7H,1-6H2,11H3;6H,1-5H2,10H3;4H2,1-3,9H3;5H,3-4H2,1-2,9H3;4H,3H2,1-2,8H3;2-3H2,1,7H3;2H2,1,6H3
InChIKeySJLDHLBTGDLTKZ-UHFFFAOYSA-N
XLogP-1.09
TPSA193.33 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds16
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001142.00
LogP ≤ 5-1.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 1-phenylethenoxymethylsilane;silylmethyl acetate;silylmethyl cyclohexanecarboxylate;silylmethyl cyclopentanecarboxylate;silylmethyl 2,2-dimethylpropanoate;silylmethyl 2-methylbutanoate;silylmethyl 2-methylpropanoate;silylmethyl propanoate with MolForge

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Related Compounds

acetyloxymethyl 2-methylpropanoate;(5-methyl-2-methylidene-1,3-dioxol-4-yl)methyl 2-methylpropanoate;2-methylpropanoyloxymethyl benzoate;2-methylpropanoyloxymethyl cyclohexanecarboxylate;2-methylpropanoyloxymethyl 2,2-dimethylpropanoate;2-methylpropanoyloxymethyl 2-methylpropanoate
CID 159857297
(2R)-2-(acetyloxymethoxycarbonylamino)-3-(acetyloxymethoxycarbonylsulfanyl)propanoic acid;(2R)-2-(benzoyloxymethoxycarbonylamino)-3-(benzoyloxymethoxycarbonylsulfanyl)propanoic acid;(2R)-2-(cyclohexanecarbonyloxymethoxycarbonylamino)-3-(cyclohexanecarbonyloxymethoxycarbonylsulfanyl)propanoic acid;(2R)-2-(2,2-dimethylpropanoyloxymethoxycarbonylamino)-3-(2,2-dimethylpropanoyloxymethoxycarbonylsulfanyl)propanoic acid;(2R)-2-(2-methylpropanoyloxymethoxycarbonylamino)-3-(2-methylpropanoyloxymethoxycarbonylsulfanyl)propanoic acid
CID 157432691
2,4-dimethylpentan-3-yl acetate;2,4-dimethylpentan-3-yl cyclohexanecarboxylate;2,4-dimethylpentan-3-yl 2,2-dimethylpropanoate;2,4-dimethylpentan-3-yl 2-methylpropanoate;2,4-dimethylpentan-3-yl propanoate;3-methylbutan-2-yl acetate;3-methylbutan-2-yl benzoate;3-methylbutan-2-yl cyclohexanecarboxylate;3-methylbutan-2-yl 2,2-dimethylpropanoate;3-methylbutan-2-yl 2-methylpropanoate;3-methylbutan-2-yl propanoate;2-methylpentan-3-yl acetate;2-methylpentan-3-yl cyclohexanecarboxylate;2-methylpentan-3-yl 2,2-dimethylpropanoate;2-methylpentan-3-yl 2-methylpropanoate;2-methylpentan-3-yl propanoate;2-methylpropyl acetate;2-methylpropyl benzoate;2-methylpropyl cyclohexanecarboxylate;2-methylpropyl 2,2-dimethylpropanoate;2-methylpropyl 2-methylpropanoate;2-methylpropyl propanoate
CID 159820169
2-(2-methylbutanoyloxy)ethyl cyclohexanecarboxylate
CID 118048088
2-(2-benzoyloxyacetyl)oxyethyl-trimethylazanium;tetrakis(2-benzoyloxyethyl(trimethyl)azanium);butane;2-[2-(cyclohexanecarbonyloxy)acetyl]oxyethyl-trimethylazanium;2,2-dimethylpropane;2-methylpropane;pentane
CID 161482053
[cyclohexyl(phenyl)methyl] 2-methylpropanoate;propane
CID 158475695
[2-(acetyloxymethyl)-2-(cyclohexanecarbonyloxymethyl)butyl] cyclohexanecarboxylate
CID 20870650
silylmethyl benzenecarbodithioate;silylmethyl cyclohexanecarbodithioate;silylmethyl cyclopentanecarbodithioate;silylmethyl 2,2-dimethylpropanedithioate;silylmethyl ethanedithioate;silylmethyl 2-methylbutanedithioate;silylmethyl 2-methylpropanedithioate;silylmethyl propanedithioate
CID 165006010
N-butan-2-yl-N-phenylcyclohexanecarboxamide
CID 153425263
2-methylbutanoyloxy(triphenyl)phosphanium
CID 174535437
ethyl (2R)-2-[[(R)-tert-butylsulfinyl]amino]-3-cyclohexyl-4-phenylpent-4-enoate
CID 11661407
3-methylbutan-2-yl cyclohexanecarboxylate;3-methylbutan-2-yl cyclopentanecarboxylate;3-methylbutan-2-yl 2,2-dimethylbutanoate;3-methylbutan-2-yl 2,2-dimethylheptanoate;3-methylbutan-2-yl 2,2-dimethylhexanoate;3-methylbutan-2-yl 2,2-dimethylpentanoate;3-methylbutan-2-yl 2,2-dimethylpropanoate;3-methylbutan-2-yl 2-ethylbutanoate;3-methylbutan-2-yl 2-hexyloctanoate;3-methylbutan-2-yl 2-methylbutanoate;3-methylbutan-2-yl 1-methylcyclopentane-1-carboxylate;3-methylbutan-2-yl 2-methylhexanoate;3-methylbutan-2-yl 2-methylpentanoate;3-methylbutan-2-yl 2-methyl-2-phenylpropanoate;3-methylbutan-2-yl 2-methylpropanoate;3-methylbutan-2-yl 2-octyldecanoate;3-methylbutan-2-yl 2-propylpentanoate
CID 159731004

Frequently Asked Questions

What is the IUPAC name of 1-phenylethenoxymethylsilane;silylmethyl acetate;silylmethyl cyclohexanecarboxylate;silylmethyl cyclopentanecarboxylate;silylmethyl 2,2-dimethylpropanoate;silylmethyl 2-methylbutanoate;silylmethyl 2-methylpropanoate;silylmethyl propanoate?
The IUPAC name of 1-phenylethenoxymethylsilane;silylmethyl acetate;silylmethyl cyclohexanecarboxylate;silylmethyl cyclopentanecarboxylate;silylmethyl 2,2-dimethylpropanoate;silylmethyl 2-methylbutanoate;silylmethyl 2-methylpropanoate;silylmethyl propanoate (CID 165068596) is 1-phenylethenoxymethylsilane;silylmethyl acetate;silylmethyl cyclohexanecarboxylate;silylmethyl cyclopentanecarboxylate;silylmethyl 2,2-dimethylpropanoate;silylmethyl 2-methylbutanoate;silylmethyl 2-methylpropanoate;silylmethyl propanoate.
What is the SMILES notation for 1-phenylethenoxymethylsilane;silylmethyl acetate;silylmethyl cyclohexanecarboxylate;silylmethyl cyclopentanecarboxylate;silylmethyl 2,2-dimethylpropanoate;silylmethyl 2-methylbutanoate;silylmethyl 2-methylpropanoate;silylmethyl propanoate?
The canonical SMILES for 1-phenylethenoxymethylsilane;silylmethyl acetate;silylmethyl cyclohexanecarboxylate;silylmethyl cyclopentanecarboxylate;silylmethyl 2,2-dimethylpropanoate;silylmethyl 2-methylbutanoate;silylmethyl 2-methylpropanoate;silylmethyl propanoate is C=C(OC[SiH3])c1ccccc1.CC(=O)OC[SiH3].CC(C)(C)C(=O)OC[SiH3].CC(C)C(=O)OC[SiH3].CCC(=O)OC[SiH3].CCC(C)C(=O)OC[SiH3].O=C(OC[SiH3])C1CCCC1.O=C(OC[SiH3])C1CCCCC1.
What is the InChIKey of 1-phenylethenoxymethylsilane;silylmethyl acetate;silylmethyl cyclohexanecarboxylate;silylmethyl cyclopentanecarboxylate;silylmethyl 2,2-dimethylpropanoate;silylmethyl 2-methylbutanoate;silylmethyl 2-methylpropanoate;silylmethyl propanoate?
The InChIKey is SJLDHLBTGDLTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12OSi.C8H16O2Si.C7H14O2Si.2C6H14O2Si.C5H12O2Si.C4H10O2Si.C3H8O2Si/c1-8(10-7-11)9-5-3-2-4-6-9;9-8(10-6-11)7-4-2-1-3-5-7;8-7(9-5-10)6-3-1-2-4-6;1-6(2,3)5(7)8-4-9;1-3-5(2)6(7)8-4-9;1-4(2)5(6)7-3-8;1-2-4(5)6-3-7;1-3(4)5-2-6/h2-6H,1,7H2,11H3;7H,1-6H2,11H3;6H,1-5H2,10H3;4H2,1-3,9H3;5H,3-4H2,1-2,9H3;4H,3H2,1-2,8H3;2-3H2,1,7H3;2H2,1,6H3.
What are the key properties of 1-phenylethenoxymethylsilane;silylmethyl acetate;silylmethyl cyclohexanecarboxylate;silylmethyl cyclopentanecarboxylate;silylmethyl 2,2-dimethylpropanoate;silylmethyl 2-methylbutanoate;silylmethyl 2-methylpropanoate;silylmethyl propanoate?
1-phenylethenoxymethylsilane;silylmethyl acetate;silylmethyl cyclohexanecarboxylate;silylmethyl cyclopentanecarboxylate;silylmethyl 2,2-dimethylpropanoate;silylmethyl 2-methylbutanoate;silylmethyl 2-methylpropanoate;silylmethyl propanoate has a molecular weight of 1142.00 g/mol, XLogP of -1.09, 16 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylethenoxymethylsilane;silylmethyl acetate;silylmethyl cyclohexanecarboxylate;silylmethyl cyclopentanecarboxylate;silylmethyl 2,2-dimethylpropanoate;silylmethyl 2-methylbutanoate;silylmethyl 2-methylpropanoate;silylmethyl propanoate is sourced from PubChem (CID 165068596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).