cyclohexyl (E)-3-[4-(6-prop-2-enoyloxyhexoxy)phenyl]prop-2-enoate

C24H32O5 — CID 166880070

IUPACcyclohexyl (E)-3-[4-(6-prop-2-enoyloxyhexoxy)phenyl]prop-2-enoate
SMILESC=CC(=O)OCCCCCCOc1ccc(/C=C/C(=O)OC2CCCCC2)cc1
InChIInChI=1S/C24H32O5/c1-2-23(25)28-19-9-4-3-8-18-27-21-15-12-20(13-16-21)14-17-24(26)29-22-10-6-5-7-11-22/h2,12-17,22H,1,3-11,18-19H2/b17-14+
InChIKeyRDHYSGSDLMXLTJ-SAPNQHFASA-N
MW400.52 g/mol
LogP5.24
Rot. Bonds12

About cyclohexyl (E)-3-[4-(6-prop-2-enoyloxyhexoxy)phenyl]prop-2-enoate

cyclohexyl (E)-3-[4-(6-prop-2-enoyloxyhexoxy)phenyl]prop-2-enoate (PubChem CID 166880070) has the molecular formula C24H32O5 and a molecular weight of 400.52 g/mol. Its IUPAC name is cyclohexyl (E)-3-[4-(6-prop-2-enoyloxyhexoxy)phenyl]prop-2-enoate.

Molecular Properties

Compound Namecyclohexyl (E)-3-[4-(6-prop-2-enoyloxyhexoxy)phenyl]prop-2-enoate
PubChem CID166880070
Molecular FormulaC24H32O5
Molecular Weight400.52 g/mol
Exact Mass400.22
IUPAC Namecyclohexyl (E)-3-[4-(6-prop-2-enoyloxyhexoxy)phenyl]prop-2-enoate
SMILESC=CC(=O)OCCCCCCOc1ccc(/C=C/C(=O)OC2CCCCC2)cc1
InChIInChI=1S/C24H32O5/c1-2-23(25)28-19-9-4-3-8-18-27-21-15-12-20(13-16-21)14-17-24(26)29-22-10-6-5-7-11-22/h2,12-17,22H,1,3-11,18-19H2/b17-14+
InChIKeyRDHYSGSDLMXLTJ-SAPNQHFASA-N
XLogP5.24
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.52
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(12-prop-2-enoyloxydodecoxy)phenyl]prop-2-enoic acid
CID 67554557
(E)-3-[4-(4-prop-2-enoyloxybutoxy)phenyl]prop-2-enoic acid
CID 11208514
4-O-cyclohexyl 1-O-[3-[4-[(E)-3-[4-(2-prop-2-enoyloxyethoxy)phenyl]prop-2-enoyl]oxyphenoxy]propyl] 2-methylidenebutanedioate
CID 154624968
6-prop-2-enoyloxyhexyl (E)-3-(4-ethoxyphenyl)prop-2-enoate
CID 134454514
[4-[4-(6-prop-2-enoyloxyhexoxy)phenyl]phenyl] (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 101360108
(4-cyclohexyloxycarbonylphenyl) 4-(12-prop-2-enoyloxydodecoxy)benzoate
CID 21461602
6-[4-(4-prop-2-enoyloxycyclohexyl)phenoxy]hexyl prop-2-enoate
CID 58185084
8-[4-[(E)-3-oxo-3-[3,6,7,10,11-pentakis[(E)-3-[4-(8-prop-2-enoyloxyoctoxy)phenyl]prop-2-enoyl]triphenylen-2-yl]prop-1-enyl]phenoxy]octyl prop-2-enoate
CID 18415590
4-[4-[4-(4-prop-2-enoyloxybutoxy)phenyl]phenoxy]butyl (E)-3-phenylprop-2-enoate
CID 102145573
12-(4-formylphenoxy)dodecyl prop-2-enoate
CID 174341299
(E)-3-[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl]prop-2-enoic acid
CID 11568339
[4-[[(3R,3aR,6S,6aR)-3-[3-[4-(6-prop-2-enoyloxyhexoxy)phenyl]prop-2-enoyloxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxycarbonyl]phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate
CID 90961992

Frequently Asked Questions

What is the IUPAC name of cyclohexyl (E)-3-[4-(6-prop-2-enoyloxyhexoxy)phenyl]prop-2-enoate?
The IUPAC name of cyclohexyl (E)-3-[4-(6-prop-2-enoyloxyhexoxy)phenyl]prop-2-enoate (CID 166880070) is cyclohexyl (E)-3-[4-(6-prop-2-enoyloxyhexoxy)phenyl]prop-2-enoate.
What is the SMILES notation for cyclohexyl (E)-3-[4-(6-prop-2-enoyloxyhexoxy)phenyl]prop-2-enoate?
The canonical SMILES for cyclohexyl (E)-3-[4-(6-prop-2-enoyloxyhexoxy)phenyl]prop-2-enoate is C=CC(=O)OCCCCCCOc1ccc(/C=C/C(=O)OC2CCCCC2)cc1.
What is the InChIKey of cyclohexyl (E)-3-[4-(6-prop-2-enoyloxyhexoxy)phenyl]prop-2-enoate?
The InChIKey is RDHYSGSDLMXLTJ-SAPNQHFASA-N. The full InChI is InChI=1S/C24H32O5/c1-2-23(25)28-19-9-4-3-8-18-27-21-15-12-20(13-16-21)14-17-24(26)29-22-10-6-5-7-11-22/h2,12-17,22H,1,3-11,18-19H2/b17-14+.
What are the key properties of cyclohexyl (E)-3-[4-(6-prop-2-enoyloxyhexoxy)phenyl]prop-2-enoate?
cyclohexyl (E)-3-[4-(6-prop-2-enoyloxyhexoxy)phenyl]prop-2-enoate has a molecular weight of 400.52 g/mol, XLogP of 5.24, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl (E)-3-[4-(6-prop-2-enoyloxyhexoxy)phenyl]prop-2-enoate is sourced from PubChem (CID 166880070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).