5-O-ethyl 1-O-methyl 2,4-dimethyl-2-(6-methyl-2,2,4-triphenyloctyl)pentanedioate;methane;decakis(2-methoxyethanol);methyl 2,8-dimethyl-4,4,6-triphenyldecanoate;pentakis(propan-2-ol);titanium

C115H214O31Ti3 — CID 161400095

IUPAC5-O-ethyl 1-O-methyl 2,4-dimethyl-2-(6-methyl-2,2,4-triphenyloctyl)pentanedioate;methane;decakis(2-methoxyethanol);methyl 2,8-dimethyl-4,4,6-triphenyldecanoate;pentakis(propan-2-ol);titanium
SMILESC.C.CC(C)O.CC(C)O.CC(C)O.CC(C)O.CC(C)O.CCC(C)CC(CC(CC(C)C(=O)OC)(c1ccccc1)c1ccccc1)c1ccccc1.CCOC(=O)C(C)CC(C)(CC(CC(CC(C)CC)c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)OC.COCCO.COCCO.COCCO.COCCO.COCCO.COCCO.COCCO.COCCO.COCCO.COCCO.[Ti].[Ti].[Ti]
InChIInChI=1S/C37H48O4.C31H38O2.10C3H8O2.5C3H8O.2CH4.3Ti/c1-7-28(3)24-31(30-18-12-9-13-19-30)26-37(32-20-14-10-15-21-32,33-22-16-11-17-23-33)27-36(5,35(39)40-6)25-29(4)34(38)41-8-2;1-5-24(2)21-27(26-15-9-6-10-16-26)23-31(22-25(3)30(32)33-4,28-17-11-7-12-18-28)29-19-13-8-14-20-29;10*1-5-3-2-4;5*1-3(2)4;;;;;/h9-23,28-29,31H,7-8,24-27H2,1-6H3;6-20,24-25,27H,5,21-23H2,1-4H3;10*4H,2-3H2,1H3;5*3-4H,1-2H3;2*1H4;;;
InChIKeyJOZWTEPSKWYAKZ-UHFFFAOYSA-N
MW2236.55 g/mol
LogP15.97
Rot. Bonds46

About 5-O-ethyl 1-O-methyl 2,4-dimethyl-2-(6-methyl-2,2,4-triphenyloctyl)pentanedioate;methane;decakis(2-methoxyethanol);methyl 2,8-dimethyl-4,4,6-triphenyldecanoate;pentakis(propan-2-ol);titanium

5-O-ethyl 1-O-methyl 2,4-dimethyl-2-(6-methyl-2,2,4-triphenyloctyl)pentanedioate;methane;decakis(2-methoxyethanol);methyl 2,8-dimethyl-4,4,6-triphenyldecanoate;pentakis(propan-2-ol);titanium (PubChem CID 161400095) has the molecular formula C115H214O31Ti3 and a molecular weight of 2236.55 g/mol. Its IUPAC name is 5-O-ethyl 1-O-methyl 2,4-dimethyl-2-(6-methyl-2,2,4-triphenyloctyl)pentanedioate;methane;decakis(2-methoxyethanol);methyl 2,8-dimethyl-4,4,6-triphenyldecanoate;pentakis(propan-2-ol);titanium.

Molecular Properties

Compound Name5-O-ethyl 1-O-methyl 2,4-dimethyl-2-(6-methyl-2,2,4-triphenyloctyl)pentanedioate;methane;decakis(2-methoxyethanol);methyl 2,8-dimethyl-4,4,6-triphenyldecanoate;pentakis(propan-2-ol);titanium
PubChem CID161400095
Molecular FormulaC115H214O31Ti3
Molecular Weight2236.55 g/mol
Exact Mass2235.36
IUPAC Name5-O-ethyl 1-O-methyl 2,4-dimethyl-2-(6-methyl-2,2,4-triphenyloctyl)pentanedioate;methane;decakis(2-methoxyethanol);methyl 2,8-dimethyl-4,4,6-triphenyldecanoate;pentakis(propan-2-ol);titanium
SMILESC.C.CC(C)O.CC(C)O.CC(C)O.CC(C)O.CC(C)O.CCC(C)CC(CC(CC(C)C(=O)OC)(c1ccccc1)c1ccccc1)c1ccccc1.CCOC(=O)C(C)CC(C)(CC(CC(CC(C)CC)c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)OC.COCCO.COCCO.COCCO.COCCO.COCCO.COCCO.COCCO.COCCO.COCCO.COCCO.[Ti].[Ti].[Ti]
InChIInChI=1S/C37H48O4.C31H38O2.10C3H8O2.5C3H8O.2CH4.3Ti/c1-7-28(3)24-31(30-18-12-9-13-19-30)26-37(32-20-14-10-15-21-32,33-22-16-11-17-23-33)27-36(5,35(39)40-6)25-29(4)34(38)41-8-2;1-5-24(2)21-27(26-15-9-6-10-16-26)23-31(22-25(3)30(32)33-4,28-17-11-7-12-18-28)29-19-13-8-14-20-29;10*1-5-3-2-4;5*1-3(2)4;;;;;/h9-23,28-29,31H,7-8,24-27H2,1-6H3;6-20,24-25,27H,5,21-23H2,1-4H3;10*4H,2-3H2,1H3;5*3-4H,1-2H3;2*1H4;;;
InChIKeyJOZWTEPSKWYAKZ-UHFFFAOYSA-N
XLogP15.97
TPSA474.65 Ų
H-Bond Donors15
H-Bond Acceptors31
Rotatable Bonds46
Heavy Atoms149
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002236.55
LogP ≤ 515.97
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze 5-O-ethyl 1-O-methyl 2,4-dimethyl-2-(6-methyl-2,2,4-triphenyloctyl)pentanedioate;methane;decakis(2-methoxyethanol);methyl 2,8-dimethyl-4,4,6-triphenyldecanoate;pentakis(propan-2-ol);titanium with MolForge

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Launch Full Analysis

Related Compounds

5-O-butyl 1-O-methyl 2,4-dimethyl-2-(6-methyl-2,2,4-triphenyloctyl)pentanedioate
CID 158276501
methyl 4-[4-(3-hydroxypropyl)phenyl]-2,8-dimethyl-4,6-diphenyldecanoate
CID 176587316
methyl 4-(4-fluorophenyl)-4-[4-(10-hydroxydecoxy)phenyl]-2,8-dimethyl-6-phenyldecanoate
CID 176587304
methyl 4-[4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]phenyl]-2,8-dimethyl-4,6-diphenyldecanoate
CID 176587327
lithium;1-O-[2-hydroxy-3-(trimethylsilylmethylsulfanyl)propyl] 5-O-methyl 2,4-dimethyl-2-(6-methyl-2,2,4-triphenyloctyl)pentanedioate;5-O-methyl 1-O-(oxiran-2-ylmethyl) 2,4-dimethyl-2-(6-methyl-2,2,4-triphenyloctyl)pentanedioate;trimethylsilylmethanethiol;hydroxide
CID 163931588
methyl 4,4-bis[3-[3-[tert-butyl(dimethyl)silyl]oxypropoxymethyl]phenyl]-2,8-dimethyl-6-phenyldecanoate
CID 176587333
methyl 4-(4-diethoxyphosphorylphenyl)-2,6-dimethyl-4-phenyloctanoate
CID 170659344
butan-2-ylbenzene;2-hydroxyethyl 2,2-dimethylbutanoate;2-hydroxyethyl 2-methylbutanoate;methane;methyl 2,2-dimethylbutanoate;methyl 2-methylbutanoate
CID 161204608
(3-methyl-7,7-diphenyldec-9-yn-5-yl)benzene
CID 158429198
3-[4-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecoxy)phenyl]-7-methyl-3,5-diphenylnonan-1-ol
CID 122498783
5,7-bis(methoxycarbonyl)-5,7-dimethyl-9-phenyltetradecan-3-olate
CID 140785408
1-O-methyl 5-O-(oxiran-2-ylmethyl) 2-ethyl-2,4-dimethyl-4-(2-phenylbutyl)pentanedioate
CID 90244525

Frequently Asked Questions

What is the IUPAC name of 5-O-ethyl 1-O-methyl 2,4-dimethyl-2-(6-methyl-2,2,4-triphenyloctyl)pentanedioate;methane;decakis(2-methoxyethanol);methyl 2,8-dimethyl-4,4,6-triphenyldecanoate;pentakis(propan-2-ol);titanium?
The IUPAC name of 5-O-ethyl 1-O-methyl 2,4-dimethyl-2-(6-methyl-2,2,4-triphenyloctyl)pentanedioate;methane;decakis(2-methoxyethanol);methyl 2,8-dimethyl-4,4,6-triphenyldecanoate;pentakis(propan-2-ol);titanium (CID 161400095) is 5-O-ethyl 1-O-methyl 2,4-dimethyl-2-(6-methyl-2,2,4-triphenyloctyl)pentanedioate;methane;decakis(2-methoxyethanol);methyl 2,8-dimethyl-4,4,6-triphenyldecanoate;pentakis(propan-2-ol);titanium.
What is the SMILES notation for 5-O-ethyl 1-O-methyl 2,4-dimethyl-2-(6-methyl-2,2,4-triphenyloctyl)pentanedioate;methane;decakis(2-methoxyethanol);methyl 2,8-dimethyl-4,4,6-triphenyldecanoate;pentakis(propan-2-ol);titanium?
The canonical SMILES for 5-O-ethyl 1-O-methyl 2,4-dimethyl-2-(6-methyl-2,2,4-triphenyloctyl)pentanedioate;methane;decakis(2-methoxyethanol);methyl 2,8-dimethyl-4,4,6-triphenyldecanoate;pentakis(propan-2-ol);titanium is C.C.CC(C)O.CC(C)O.CC(C)O.CC(C)O.CC(C)O.CCC(C)CC(CC(CC(C)C(=O)OC)(c1ccccc1)c1ccccc1)c1ccccc1.CCOC(=O)C(C)CC(C)(CC(CC(CC(C)CC)c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)OC.COCCO.COCCO.COCCO.COCCO.COCCO.COCCO.COCCO.COCCO.COCCO.COCCO.[Ti].[Ti].[Ti].
What is the InChIKey of 5-O-ethyl 1-O-methyl 2,4-dimethyl-2-(6-methyl-2,2,4-triphenyloctyl)pentanedioate;methane;decakis(2-methoxyethanol);methyl 2,8-dimethyl-4,4,6-triphenyldecanoate;pentakis(propan-2-ol);titanium?
The InChIKey is JOZWTEPSKWYAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H48O4.C31H38O2.10C3H8O2.5C3H8O.2CH4.3Ti/c1-7-28(3)24-31(30-18-12-9-13-19-30)26-37(32-20-14-10-15-21-32,33-22-16-11-17-23-33)27-36(5,35(39)40-6)25-29(4)34(38)41-8-2;1-5-24(2)21-27(26-15-9-6-10-16-26)23-31(22-25(3)30(32)33-4,28-17-11-7-12-18-28)29-19-13-8-14-20-29;10*1-5-3-2-4;5*1-3(2)4;;;;;/h9-23,28-29,31H,7-8,24-27H2,1-6H3;6-20,24-25,27H,5,21-23H2,1-4H3;10*4H,2-3H2,1H3;5*3-4H,1-2H3;2*1H4;;;.
What are the key properties of 5-O-ethyl 1-O-methyl 2,4-dimethyl-2-(6-methyl-2,2,4-triphenyloctyl)pentanedioate;methane;decakis(2-methoxyethanol);methyl 2,8-dimethyl-4,4,6-triphenyldecanoate;pentakis(propan-2-ol);titanium?
5-O-ethyl 1-O-methyl 2,4-dimethyl-2-(6-methyl-2,2,4-triphenyloctyl)pentanedioate;methane;decakis(2-methoxyethanol);methyl 2,8-dimethyl-4,4,6-triphenyldecanoate;pentakis(propan-2-ol);titanium has a molecular weight of 2236.55 g/mol, XLogP of 15.97, 46 rotatable bonds, 15 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 5-O-ethyl 1-O-methyl 2,4-dimethyl-2-(6-methyl-2,2,4-triphenyloctyl)pentanedioate;methane;decakis(2-methoxyethanol);methyl 2,8-dimethyl-4,4,6-triphenyldecanoate;pentakis(propan-2-ol);titanium is sourced from PubChem (CID 161400095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).