methyl 3-[4-[4-[4-(2-triethoxysilylethyl)cyclohexyl]phenyl]phenyl]prop-2-enoate

C30H42O5Si — CID 67577447

IUPACmethyl 3-[4-[4-[4-(2-triethoxysilylethyl)cyclohexyl]phenyl]phenyl]prop-2-enoate
SMILESCCO[Si](CCC1CCC(c2ccc(-c3ccc(C=CC(=O)OC)cc3)cc2)CC1)(OCC)OCC
InChIInChI=1S/C30H42O5Si/c1-5-33-36(34-6-2,35-7-3)23-22-25-10-15-27(16-11-25)29-19-17-28(18-20-29)26-13-8-24(9-14-26)12-21-30(31)32-4/h8-9,12-14,17-21,25,27H,5-7,10-11,15-16,22-23H2,1-4H3
InChIKeyDXKDKFMUISTLHI-UHFFFAOYSA-N
MW510.75 g/mol
LogP7.25
Rot. Bonds13

About methyl 3-[4-[4-[4-(2-triethoxysilylethyl)cyclohexyl]phenyl]phenyl]prop-2-enoate

methyl 3-[4-[4-[4-(2-triethoxysilylethyl)cyclohexyl]phenyl]phenyl]prop-2-enoate (PubChem CID 67577447) has the molecular formula C30H42O5Si and a molecular weight of 510.75 g/mol. Its IUPAC name is methyl 3-[4-[4-[4-(2-triethoxysilylethyl)cyclohexyl]phenyl]phenyl]prop-2-enoate.

Molecular Properties

Compound Namemethyl 3-[4-[4-[4-(2-triethoxysilylethyl)cyclohexyl]phenyl]phenyl]prop-2-enoate
PubChem CID67577447
Molecular FormulaC30H42O5Si
Molecular Weight510.75 g/mol
Exact Mass510.28
IUPAC Namemethyl 3-[4-[4-[4-(2-triethoxysilylethyl)cyclohexyl]phenyl]phenyl]prop-2-enoate
SMILESCCO[Si](CCC1CCC(c2ccc(-c3ccc(C=CC(=O)OC)cc3)cc2)CC1)(OCC)OCC
InChIInChI=1S/C30H42O5Si/c1-5-33-36(34-6-2,35-7-3)23-22-25-10-15-27(16-11-25)29-19-17-28(18-20-29)26-13-8-24(9-14-26)12-21-30(31)32-4/h8-9,12-14,17-21,25,27H,5-7,10-11,15-16,22-23H2,1-4H3
InChIKeyDXKDKFMUISTLHI-UHFFFAOYSA-N
XLogP7.25
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.75
LogP ≤ 57.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze methyl 3-[4-[4-[4-(2-triethoxysilylethyl)cyclohexyl]phenyl]phenyl]prop-2-enoate with MolForge

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Related Compounds

6-[4-[4-[4-(3-methoxy-3-oxoprop-1-enyl)phenyl]phenyl]cyclohexyl]-2-methylhex-2-enoic acid
CID 54500805
3-[4-(4-propylcyclohexyl)phenyl]prop-2-enoic acid
CID 4201535
2-[(E)-3-[4-(4-propylcyclohexyl)phenyl]prop-2-enoyl]oxyethyl 2,2-dimethylpropanoate
CID 137415709
methyl 3-[4-ethoxy-3-(4-triethoxysilylbutoxy)phenyl]prop-2-enoate
CID 54025550
(E)-3-[4-[4-(4-trichlorosilylbutyl)cyclohexyl]phenyl]prop-2-enoic acid
CID 70126712
6-triethoxysilylhexyl (E)-3-[4-(4-methoxy-3-octoxyphenyl)phenyl]prop-2-enoate
CID 140988143
(4-propylcyclohexyl) (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 6048720
methyl (E)-3-(4-ethoxyphenyl)prop-2-enoate
CID 13208556
6-(2-triethoxysilylethylcarbamoyloxy)hexyl (E)-3-[6-[(4-propylcyclohexyl)methoxy]naphthalen-2-yl]prop-2-enoate
CID 67672608
methyl (E)-3-[4-(4-pentylphenyl)phenyl]prop-2-enoate
CID 21182474
benzene-1,2-diamine;ethyl 3-(4-cyclohexylphenyl)prop-2-enoate
CID 174740331
methyl 3-[4-[4-(3-methoxy-3-oxoprop-1-enyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]prop-2-enoate
CID 76777420

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-[4-[4-(2-triethoxysilylethyl)cyclohexyl]phenyl]phenyl]prop-2-enoate?
The IUPAC name of methyl 3-[4-[4-[4-(2-triethoxysilylethyl)cyclohexyl]phenyl]phenyl]prop-2-enoate (CID 67577447) is methyl 3-[4-[4-[4-(2-triethoxysilylethyl)cyclohexyl]phenyl]phenyl]prop-2-enoate.
What is the SMILES notation for methyl 3-[4-[4-[4-(2-triethoxysilylethyl)cyclohexyl]phenyl]phenyl]prop-2-enoate?
The canonical SMILES for methyl 3-[4-[4-[4-(2-triethoxysilylethyl)cyclohexyl]phenyl]phenyl]prop-2-enoate is CCO[Si](CCC1CCC(c2ccc(-c3ccc(C=CC(=O)OC)cc3)cc2)CC1)(OCC)OCC.
What is the InChIKey of methyl 3-[4-[4-[4-(2-triethoxysilylethyl)cyclohexyl]phenyl]phenyl]prop-2-enoate?
The InChIKey is DXKDKFMUISTLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H42O5Si/c1-5-33-36(34-6-2,35-7-3)23-22-25-10-15-27(16-11-25)29-19-17-28(18-20-29)26-13-8-24(9-14-26)12-21-30(31)32-4/h8-9,12-14,17-21,25,27H,5-7,10-11,15-16,22-23H2,1-4H3.
What are the key properties of methyl 3-[4-[4-[4-(2-triethoxysilylethyl)cyclohexyl]phenyl]phenyl]prop-2-enoate?
methyl 3-[4-[4-[4-(2-triethoxysilylethyl)cyclohexyl]phenyl]phenyl]prop-2-enoate has a molecular weight of 510.75 g/mol, XLogP of 7.25, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-[4-[4-(2-triethoxysilylethyl)cyclohexyl]phenyl]phenyl]prop-2-enoate is sourced from PubChem (CID 67577447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).