pentyl (E)-2-methyl-3-[4-(4-propylcyclohexyl)phenyl]prop-2-enoate;silyloxysilane

C24H42O3Si2 — CID 173292973

IUPACpentyl (E)-2-methyl-3-[4-(4-propylcyclohexyl)phenyl]prop-2-enoate;silyloxysilane
SMILESCCCCCOC(=O)/C(C)=C/c1ccc(C2CCC(CCC)CC2)cc1.[SiH3]O[SiH3]
InChIInChI=1S/C24H36O2.H6OSi2/c1-4-6-7-17-26-24(25)19(3)18-21-11-15-23(16-12-21)22-13-9-20(8-5-2)10-14-22;2-1-3/h11-12,15-16,18,20,22H,4-10,13-14,17H2,1-3H3;2-3H3/b19-18+;
InChIKeyYOGQTOGHFKTPOY-LTRPLHCISA-N
MW434.77 g/mol
LogP4.46
Rot. Bonds9

About pentyl (E)-2-methyl-3-[4-(4-propylcyclohexyl)phenyl]prop-2-enoate;silyloxysilane

pentyl (E)-2-methyl-3-[4-(4-propylcyclohexyl)phenyl]prop-2-enoate;silyloxysilane (PubChem CID 173292973) has the molecular formula C24H42O3Si2 and a molecular weight of 434.77 g/mol. Its IUPAC name is pentyl (E)-2-methyl-3-[4-(4-propylcyclohexyl)phenyl]prop-2-enoate;silyloxysilane.

Molecular Properties

Compound Namepentyl (E)-2-methyl-3-[4-(4-propylcyclohexyl)phenyl]prop-2-enoate;silyloxysilane
PubChem CID173292973
Molecular FormulaC24H42O3Si2
Molecular Weight434.77 g/mol
Exact Mass434.27
IUPAC Namepentyl (E)-2-methyl-3-[4-(4-propylcyclohexyl)phenyl]prop-2-enoate;silyloxysilane
SMILESCCCCCOC(=O)/C(C)=C/c1ccc(C2CCC(CCC)CC2)cc1.[SiH3]O[SiH3]
InChIInChI=1S/C24H36O2.H6OSi2/c1-4-6-7-17-26-24(25)19(3)18-21-11-15-23(16-12-21)22-13-9-20(8-5-2)10-14-22;2-1-3/h11-12,15-16,18,20,22H,4-10,13-14,17H2,1-3H3;2-3H3/b19-18+;
InChIKeyYOGQTOGHFKTPOY-LTRPLHCISA-N
XLogP4.46
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.77
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(2-methylprop-2-enoyloxy)-2-[[4-(4-propylcyclohexyl)phenyl]methylidene]butanoic acid
CID 70289633
4-(2-methylprop-2-enoyloxy)-2-[[4-(4-pentylcyclohexyl)phenyl]methylidene]butanoic acid
CID 70289562
hexyl 2-methyl-3-phenylprop-2-enoate
CID 174586254
6-[4-(4-pentylcyclohexyl)phenoxy]hexyl 6-(2-methylprop-2-enoyloxy)hexanoate
CID 58019591
ethyl 4-[4-(4-pentylcyclohexyl)phenoxy]butyl carbonate
CID 102225300
1-O-ethyl 4-O-[6-[4-(4-propylcyclohexyl)phenoxy]hexyl] butanedioate
CID 58027851
1-(2,2-difluoroethenyl)-4-(4-nonylcyclohexyl)benzene
CID 19842787
4-(4-propylcyclohexyl)benzaldehyde
CID 14573359
3-[4-(4-propylcyclohexyl)phenyl]prop-2-enoic acid
CID 4201535
6-[4-(4-pentylcyclohexyl)phenoxy]hexyl prop-2-enoate
CID 21036152
2-[(E)-3-[4-(4-propylcyclohexyl)phenyl]prop-2-enoyl]oxyethyl 2,2-dimethylpropanoate
CID 137415709
1-(2,2-difluoroethenyl)-4-[4-(4-nonylcyclohexyl)phenyl]benzene
CID 19842832

Frequently Asked Questions

What is the IUPAC name of pentyl (E)-2-methyl-3-[4-(4-propylcyclohexyl)phenyl]prop-2-enoate;silyloxysilane?
The IUPAC name of pentyl (E)-2-methyl-3-[4-(4-propylcyclohexyl)phenyl]prop-2-enoate;silyloxysilane (CID 173292973) is pentyl (E)-2-methyl-3-[4-(4-propylcyclohexyl)phenyl]prop-2-enoate;silyloxysilane.
What is the SMILES notation for pentyl (E)-2-methyl-3-[4-(4-propylcyclohexyl)phenyl]prop-2-enoate;silyloxysilane?
The canonical SMILES for pentyl (E)-2-methyl-3-[4-(4-propylcyclohexyl)phenyl]prop-2-enoate;silyloxysilane is CCCCCOC(=O)/C(C)=C/c1ccc(C2CCC(CCC)CC2)cc1.[SiH3]O[SiH3].
What is the InChIKey of pentyl (E)-2-methyl-3-[4-(4-propylcyclohexyl)phenyl]prop-2-enoate;silyloxysilane?
The InChIKey is YOGQTOGHFKTPOY-LTRPLHCISA-N. The full InChI is InChI=1S/C24H36O2.H6OSi2/c1-4-6-7-17-26-24(25)19(3)18-21-11-15-23(16-12-21)22-13-9-20(8-5-2)10-14-22;2-1-3/h11-12,15-16,18,20,22H,4-10,13-14,17H2,1-3H3;2-3H3/b19-18+;.
What are the key properties of pentyl (E)-2-methyl-3-[4-(4-propylcyclohexyl)phenyl]prop-2-enoate;silyloxysilane?
pentyl (E)-2-methyl-3-[4-(4-propylcyclohexyl)phenyl]prop-2-enoate;silyloxysilane has a molecular weight of 434.77 g/mol, XLogP of 4.46, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pentyl (E)-2-methyl-3-[4-(4-propylcyclohexyl)phenyl]prop-2-enoate;silyloxysilane is sourced from PubChem (CID 173292973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).