[4-(4-pentylcyclohexyl)cyclohexyl] 2-(trimethoxysilylmethyl)prop-2-enoate

C24H44O5Si — CID 140827405

IUPAC[4-(4-pentylcyclohexyl)cyclohexyl] 2-(trimethoxysilylmethyl)prop-2-enoate
SMILESC=C(C[Si](OC)(OC)OC)C(=O)OC1CCC(C2CCC(CCCCC)CC2)CC1
InChIInChI=1S/C24H44O5Si/c1-6-7-8-9-20-10-12-21(13-11-20)22-14-16-23(17-15-22)29-24(25)19(2)18-30(26-3,27-4)28-5/h20-23H,2,6-18H2,1,3-5H3
InChIKeyASHIPZVYPHDQFU-UHFFFAOYSA-N
MW440.70 g/mol
LogP5.91
Rot. Bonds12

About [4-(4-pentylcyclohexyl)cyclohexyl] 2-(trimethoxysilylmethyl)prop-2-enoate

[4-(4-pentylcyclohexyl)cyclohexyl] 2-(trimethoxysilylmethyl)prop-2-enoate (PubChem CID 140827405) has the molecular formula C24H44O5Si and a molecular weight of 440.70 g/mol. Its IUPAC name is [4-(4-pentylcyclohexyl)cyclohexyl] 2-(trimethoxysilylmethyl)prop-2-enoate.

Molecular Properties

Compound Name[4-(4-pentylcyclohexyl)cyclohexyl] 2-(trimethoxysilylmethyl)prop-2-enoate
PubChem CID140827405
Molecular FormulaC24H44O5Si
Molecular Weight440.70 g/mol
Exact Mass440.30
IUPAC Name[4-(4-pentylcyclohexyl)cyclohexyl] 2-(trimethoxysilylmethyl)prop-2-enoate
SMILESC=C(C[Si](OC)(OC)OC)C(=O)OC1CCC(C2CCC(CCCCC)CC2)CC1
InChIInChI=1S/C24H44O5Si/c1-6-7-8-9-20-10-12-21(13-11-20)22-14-16-23(17-15-22)29-24(25)19(2)18-30(26-3,27-4)28-5/h20-23H,2,6-18H2,1,3-5H3
InChIKeyASHIPZVYPHDQFU-UHFFFAOYSA-N
XLogP5.91
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.70
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [4-(4-pentylcyclohexyl)cyclohexyl] 2-(trimethoxysilylmethyl)prop-2-enoate with MolForge

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Related Compounds

[4-(4-pentylcyclohexyl)cyclohexyl] 2-trimethoxysilylprop-2-enoate
CID 158898607
(4-nonylcyclohexyl) 2-methylprop-2-enoate
CID 141237341
(4-pentylcyclohexyl) 4-(4-heptylcyclohexyl)cyclohexane-1-carboxylate
CID 23334527
(4-pentylcyclohexyl) 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate
CID 23334769
[4-(4-butylcyclohexyl)cyclohexyl] 4-pentylcyclohexane-1-carboxylate
CID 71130129
(4-hexylcyclohexyl) 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate
CID 23334615
ethyl [4-(4-pentylcyclohexyl)cyclohexyl] carbonate
CID 70479320
(4-butylcyclohexyl) 2-methylprop-2-enoate
CID 19083728
trimethoxy-[[4-(4-pentylcyclohexyl)cyclohexyl]methyl]silane
CID 20632249
[4-(4-decylcyclohexyl)cyclohexyl] 2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enoate
CID 140827420
[4-[4-(4-butylcyclohexyl)cyclohexyl]cyclohexyl] acetate
CID 70424694
(4-pentylcyclohexyl) hydrogen carbonate
CID 22076680

Frequently Asked Questions

What is the IUPAC name of [4-(4-pentylcyclohexyl)cyclohexyl] 2-(trimethoxysilylmethyl)prop-2-enoate?
The IUPAC name of [4-(4-pentylcyclohexyl)cyclohexyl] 2-(trimethoxysilylmethyl)prop-2-enoate (CID 140827405) is [4-(4-pentylcyclohexyl)cyclohexyl] 2-(trimethoxysilylmethyl)prop-2-enoate.
What is the SMILES notation for [4-(4-pentylcyclohexyl)cyclohexyl] 2-(trimethoxysilylmethyl)prop-2-enoate?
The canonical SMILES for [4-(4-pentylcyclohexyl)cyclohexyl] 2-(trimethoxysilylmethyl)prop-2-enoate is C=C(C[Si](OC)(OC)OC)C(=O)OC1CCC(C2CCC(CCCCC)CC2)CC1.
What is the InChIKey of [4-(4-pentylcyclohexyl)cyclohexyl] 2-(trimethoxysilylmethyl)prop-2-enoate?
The InChIKey is ASHIPZVYPHDQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44O5Si/c1-6-7-8-9-20-10-12-21(13-11-20)22-14-16-23(17-15-22)29-24(25)19(2)18-30(26-3,27-4)28-5/h20-23H,2,6-18H2,1,3-5H3.
What are the key properties of [4-(4-pentylcyclohexyl)cyclohexyl] 2-(trimethoxysilylmethyl)prop-2-enoate?
[4-(4-pentylcyclohexyl)cyclohexyl] 2-(trimethoxysilylmethyl)prop-2-enoate has a molecular weight of 440.70 g/mol, XLogP of 5.91, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-pentylcyclohexyl)cyclohexyl] 2-(trimethoxysilylmethyl)prop-2-enoate is sourced from PubChem (CID 140827405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).