N,N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-ethylaniline;5-ethyl-1H-indazole;5-ethyl-1H-indole;2-ethyl-4-methyl-1,3-thiazole;4-ethyl-N-phenylaniline;2-(4-ethylphenyl)tetrazole;hexakis(methylcyclohexane);hexakis(2-methylpropane-2-sulfinate)

C138H240N10O14S7Si2-6 — CID 160511253

IUPACN,N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-ethylaniline;5-ethyl-1H-indazole;5-ethyl-1H-indole;2-ethyl-4-methyl-1,3-thiazole;4-ethyl-N-phenylaniline;2-(4-ethylphenyl)tetrazole;hexakis(methylcyclohexane);hexakis(2-methylpropane-2-sulfinate)
SMILESCC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC1CCCCC1.CC1CCCCC1.CC1CCCCC1.CC1CCCCC1.CC1CCCCC1.CC1CCCCC1.CCc1ccc(-n2ncnn2)cc1.CCc1ccc(N(CCO[Si](C)(C)C(C)(C)C)CCO[Si](C)(C)C(C)(C)C)cc1.CCc1ccc(Nc2ccccc2)cc1.CCc1ccc2[nH]ccc2c1.CCc1ccc2[nH]ncc2c1.CCc1nc(C)cs1
InChIInChI=1S/C24H47NO2Si2.C14H15N.C10H11N.C9H10N4.C9H10N2.6C7H14.C6H9NS.6C4H10O2S/c1-12-21-13-15-22(16-14-21)25(17-19-26-28(8,9)23(2,3)4)18-20-27-29(10,11)24(5,6)7;1-2-12-8-10-14(11-9-12)15-13-6-4-3-5-7-13;1-2-8-3-4-10-9(7-8)5-6-11-10;1-2-8-3-5-9(6-4-8)13-11-7-10-12-13;1-2-7-3-4-9-8(5-7)6-10-11-9;6*1-7-5-3-2-4-6-7;1-3-6-7-5(2)4-8-6;6*1-4(2,3)7(5)6/h13-16H,12,17-20H2,1-11H3;3-11,15H,2H2,1H3;3-7,11H,2H2,1H3;3-7H,2H2,1H3;3-6H,2H2,1H3,(H,10,11);6*7H,2-6H2,1H3;4H,3H2,1-2H3;6*1-3H3,(H,5,6)/p-6
InChIKeyMJOVDHZVWIIGNP-UHFFFAOYSA-H
MW2544.13 g/mol
LogP38.69
Rot. Bonds18

About N,N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-ethylaniline;5-ethyl-1H-indazole;5-ethyl-1H-indole;2-ethyl-4-methyl-1,3-thiazole;4-ethyl-N-phenylaniline;2-(4-ethylphenyl)tetrazole;hexakis(methylcyclohexane);hexakis(2-methylpropane-2-sulfinate)

N,N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-ethylaniline;5-ethyl-1H-indazole;5-ethyl-1H-indole;2-ethyl-4-methyl-1,3-thiazole;4-ethyl-N-phenylaniline;2-(4-ethylphenyl)tetrazole;hexakis(methylcyclohexane);hexakis(2-methylpropane-2-sulfinate) (PubChem CID 160511253) has the molecular formula C138H240N10O14S7Si2-6 and a molecular weight of 2544.13 g/mol. Its IUPAC name is N,N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-ethylaniline;5-ethyl-1H-indazole;5-ethyl-1H-indole;2-ethyl-4-methyl-1,3-thiazole;4-ethyl-N-phenylaniline;2-(4-ethylphenyl)tetrazole;hexakis(methylcyclohexane);hexakis(2-methylpropane-2-sulfinate).

Molecular Properties

Compound NameN,N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-ethylaniline;5-ethyl-1H-indazole;5-ethyl-1H-indole;2-ethyl-4-methyl-1,3-thiazole;4-ethyl-N-phenylaniline;2-(4-ethylphenyl)tetrazole;hexakis(methylcyclohexane);hexakis(2-methylpropane-2-sulfinate)
PubChem CID160511253
Molecular FormulaC138H240N10O14S7Si2-6
Molecular Weight2544.13 g/mol
Exact Mass2541.60
IUPAC NameN,N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-ethylaniline;5-ethyl-1H-indazole;5-ethyl-1H-indole;2-ethyl-4-methyl-1,3-thiazole;4-ethyl-N-phenylaniline;2-(4-ethylphenyl)tetrazole;hexakis(methylcyclohexane);hexakis(2-methylpropane-2-sulfinate)
SMILESCC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC1CCCCC1.CC1CCCCC1.CC1CCCCC1.CC1CCCCC1.CC1CCCCC1.CC1CCCCC1.CCc1ccc(-n2ncnn2)cc1.CCc1ccc(N(CCO[Si](C)(C)C(C)(C)C)CCO[Si](C)(C)C(C)(C)C)cc1.CCc1ccc(Nc2ccccc2)cc1.CCc1ccc2[nH]ccc2c1.CCc1ccc2[nH]ncc2c1.CCc1nc(C)cs1
InChIInChI=1S/C24H47NO2Si2.C14H15N.C10H11N.C9H10N4.C9H10N2.6C7H14.C6H9NS.6C4H10O2S/c1-12-21-13-15-22(16-14-21)25(17-19-26-28(8,9)23(2,3)4)18-20-27-29(10,11)24(5,6)7;1-2-12-8-10-14(11-9-12)15-13-6-4-3-5-7-13;1-2-8-3-4-10-9(7-8)5-6-11-10;1-2-8-3-5-9(6-4-8)13-11-7-10-12-13;1-2-7-3-4-9-8(5-7)6-10-11-9;6*1-7-5-3-2-4-6-7;1-3-6-7-5(2)4-8-6;6*1-4(2,3)7(5)6/h13-16H,12,17-20H2,1-11H3;3-11,15H,2H2,1H3;3-7,11H,2H2,1H3;3-7H,2H2,1H3;3-6H,2H2,1H3,(H,10,11);6*7H,2-6H2,1H3;4H,3H2,1-2H3;6*1-3H3,(H,5,6)/p-6
InChIKeyMJOVDHZVWIIGNP-UHFFFAOYSA-H
XLogP38.69
TPSA375.47 Ų
H-Bond Donors3
H-Bond Acceptors23
Rotatable Bonds18
Heavy Atoms171
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002544.13
LogP ≤ 538.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-ethylaniline;5-ethyl-1H-indazole;5-ethyl-1H-indole;2-ethyl-4-methyl-1,3-thiazole;4-ethyl-N-phenylaniline;2-(4-ethylphenyl)tetrazole;hexakis(methylcyclohexane);hexakis(2-methylpropane-2-sulfinate)?
The IUPAC name of N,N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-ethylaniline;5-ethyl-1H-indazole;5-ethyl-1H-indole;2-ethyl-4-methyl-1,3-thiazole;4-ethyl-N-phenylaniline;2-(4-ethylphenyl)tetrazole;hexakis(methylcyclohexane);hexakis(2-methylpropane-2-sulfinate) (CID 160511253) is N,N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-ethylaniline;5-ethyl-1H-indazole;5-ethyl-1H-indole;2-ethyl-4-methyl-1,3-thiazole;4-ethyl-N-phenylaniline;2-(4-ethylphenyl)tetrazole;hexakis(methylcyclohexane);hexakis(2-methylpropane-2-sulfinate).
What is the SMILES notation for N,N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-ethylaniline;5-ethyl-1H-indazole;5-ethyl-1H-indole;2-ethyl-4-methyl-1,3-thiazole;4-ethyl-N-phenylaniline;2-(4-ethylphenyl)tetrazole;hexakis(methylcyclohexane);hexakis(2-methylpropane-2-sulfinate)?
The canonical SMILES for N,N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-ethylaniline;5-ethyl-1H-indazole;5-ethyl-1H-indole;2-ethyl-4-methyl-1,3-thiazole;4-ethyl-N-phenylaniline;2-(4-ethylphenyl)tetrazole;hexakis(methylcyclohexane);hexakis(2-methylpropane-2-sulfinate) is CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC1CCCCC1.CC1CCCCC1.CC1CCCCC1.CC1CCCCC1.CC1CCCCC1.CC1CCCCC1.CCc1ccc(-n2ncnn2)cc1.CCc1ccc(N(CCO[Si](C)(C)C(C)(C)C)CCO[Si](C)(C)C(C)(C)C)cc1.CCc1ccc(Nc2ccccc2)cc1.CCc1ccc2[nH]ccc2c1.CCc1ccc2[nH]ncc2c1.CCc1nc(C)cs1.
What is the InChIKey of N,N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-ethylaniline;5-ethyl-1H-indazole;5-ethyl-1H-indole;2-ethyl-4-methyl-1,3-thiazole;4-ethyl-N-phenylaniline;2-(4-ethylphenyl)tetrazole;hexakis(methylcyclohexane);hexakis(2-methylpropane-2-sulfinate)?
The InChIKey is MJOVDHZVWIIGNP-UHFFFAOYSA-H. The full InChI is InChI=1S/C24H47NO2Si2.C14H15N.C10H11N.C9H10N4.C9H10N2.6C7H14.C6H9NS.6C4H10O2S/c1-12-21-13-15-22(16-14-21)25(17-19-26-28(8,9)23(2,3)4)18-20-27-29(10,11)24(5,6)7;1-2-12-8-10-14(11-9-12)15-13-6-4-3-5-7-13;1-2-8-3-4-10-9(7-8)5-6-11-10;1-2-8-3-5-9(6-4-8)13-11-7-10-12-13;1-2-7-3-4-9-8(5-7)6-10-11-9;6*1-7-5-3-2-4-6-7;1-3-6-7-5(2)4-8-6;6*1-4(2,3)7(5)6/h13-16H,12,17-20H2,1-11H3;3-11,15H,2H2,1H3;3-7,11H,2H2,1H3;3-7H,2H2,1H3;3-6H,2H2,1H3,(H,10,11);6*7H,2-6H2,1H3;4H,3H2,1-2H3;6*1-3H3,(H,5,6)/p-6.
What are the key properties of N,N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-ethylaniline;5-ethyl-1H-indazole;5-ethyl-1H-indole;2-ethyl-4-methyl-1,3-thiazole;4-ethyl-N-phenylaniline;2-(4-ethylphenyl)tetrazole;hexakis(methylcyclohexane);hexakis(2-methylpropane-2-sulfinate)?
N,N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-ethylaniline;5-ethyl-1H-indazole;5-ethyl-1H-indole;2-ethyl-4-methyl-1,3-thiazole;4-ethyl-N-phenylaniline;2-(4-ethylphenyl)tetrazole;hexakis(methylcyclohexane);hexakis(2-methylpropane-2-sulfinate) has a molecular weight of 2544.13 g/mol, XLogP of 38.69, 18 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-ethylaniline;5-ethyl-1H-indazole;5-ethyl-1H-indole;2-ethyl-4-methyl-1,3-thiazole;4-ethyl-N-phenylaniline;2-(4-ethylphenyl)tetrazole;hexakis(methylcyclohexane);hexakis(2-methylpropane-2-sulfinate) is sourced from PubChem (CID 160511253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).