[4-(4-pentylcyclohexyl)cyclohexyl] 2-trimethoxysilylprop-2-enoate

C23H42O5Si — CID 158898607

IUPAC[4-(4-pentylcyclohexyl)cyclohexyl] 2-trimethoxysilylprop-2-enoate
SMILESC=C(C(=O)OC1CCC(C2CCC(CCCCC)CC2)CC1)[Si](OC)(OC)OC
InChIInChI=1S/C23H42O5Si/c1-6-7-8-9-19-10-12-20(13-11-19)21-14-16-22(17-15-21)28-23(24)18(2)29(25-3,26-4)27-5/h19-22H,2,6-17H2,1,3-5H3
InChIKeyJFDJZWMJNKSYPE-UHFFFAOYSA-N
MW426.67 g/mol
LogP5.45
Rot. Bonds11

About [4-(4-pentylcyclohexyl)cyclohexyl] 2-trimethoxysilylprop-2-enoate

[4-(4-pentylcyclohexyl)cyclohexyl] 2-trimethoxysilylprop-2-enoate (PubChem CID 158898607) has the molecular formula C23H42O5Si and a molecular weight of 426.67 g/mol. Its IUPAC name is [4-(4-pentylcyclohexyl)cyclohexyl] 2-trimethoxysilylprop-2-enoate.

Molecular Properties

Compound Name[4-(4-pentylcyclohexyl)cyclohexyl] 2-trimethoxysilylprop-2-enoate
PubChem CID158898607
Molecular FormulaC23H42O5Si
Molecular Weight426.67 g/mol
Exact Mass426.28
IUPAC Name[4-(4-pentylcyclohexyl)cyclohexyl] 2-trimethoxysilylprop-2-enoate
SMILESC=C(C(=O)OC1CCC(C2CCC(CCCCC)CC2)CC1)[Si](OC)(OC)OC
InChIInChI=1S/C23H42O5Si/c1-6-7-8-9-19-10-12-20(13-11-19)21-14-16-22(17-15-21)28-23(24)18(2)29(25-3,26-4)27-5/h19-22H,2,6-17H2,1,3-5H3
InChIKeyJFDJZWMJNKSYPE-UHFFFAOYSA-N
XLogP5.45
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.67
LogP ≤ 55.45
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'}

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Related Compounds

[4-(4-pentylcyclohexyl)cyclohexyl] 2-(trimethoxysilylmethyl)prop-2-enoate
CID 140827405
(4-nonylcyclohexyl) 2-methylprop-2-enoate
CID 141237341
(4-pentylcyclohexyl) 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate
CID 23334769
(4-pentylcyclohexyl) 4-(4-heptylcyclohexyl)cyclohexane-1-carboxylate
CID 23334527
[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
[4-[4-(4-butylcyclohexyl)cyclohexyl]cyclohexyl] acetate
CID 70424694
(4-pentylcyclohexyl) hydrogen carbonate
CID 22076680
[4-(4-heptylcyclohexyl)cyclohexyl] 3-hydroxy-2,2-dimethylpropanoate
CID 139457112
1-nonyl-4-(4-nonylcyclohexyl)cyclohexane
CID 19850464

Frequently Asked Questions

What is the IUPAC name of [4-(4-pentylcyclohexyl)cyclohexyl] 2-trimethoxysilylprop-2-enoate?
The IUPAC name of [4-(4-pentylcyclohexyl)cyclohexyl] 2-trimethoxysilylprop-2-enoate (CID 158898607) is [4-(4-pentylcyclohexyl)cyclohexyl] 2-trimethoxysilylprop-2-enoate.
What is the SMILES notation for [4-(4-pentylcyclohexyl)cyclohexyl] 2-trimethoxysilylprop-2-enoate?
The canonical SMILES for [4-(4-pentylcyclohexyl)cyclohexyl] 2-trimethoxysilylprop-2-enoate is C=C(C(=O)OC1CCC(C2CCC(CCCCC)CC2)CC1)[Si](OC)(OC)OC.
What is the InChIKey of [4-(4-pentylcyclohexyl)cyclohexyl] 2-trimethoxysilylprop-2-enoate?
The InChIKey is JFDJZWMJNKSYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42O5Si/c1-6-7-8-9-19-10-12-20(13-11-19)21-14-16-22(17-15-21)28-23(24)18(2)29(25-3,26-4)27-5/h19-22H,2,6-17H2,1,3-5H3.
What are the key properties of [4-(4-pentylcyclohexyl)cyclohexyl] 2-trimethoxysilylprop-2-enoate?
[4-(4-pentylcyclohexyl)cyclohexyl] 2-trimethoxysilylprop-2-enoate has a molecular weight of 426.67 g/mol, XLogP of 5.45, 11 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-trimethoxysilylprop-2-enoate is sourced from PubChem (CID 158898607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).