6-[4-(4-prop-2-enoyloxycyclohexyl)phenoxy]hexyl prop-2-enoate

C24H32O5 — CID 58185084

IUPAC6-[4-(4-prop-2-enoyloxycyclohexyl)phenoxy]hexyl prop-2-enoate
SMILESC=CC(=O)OCCCCCCOc1ccc(C2CCC(OC(=O)C=C)CC2)cc1
InChIInChI=1S/C24H32O5/c1-3-23(25)28-18-8-6-5-7-17-27-21-13-9-19(10-14-21)20-11-15-22(16-12-20)29-24(26)4-2/h3-4,9-10,13-14,20,22H,1-2,5-8,11-12,15-18H2
InChIKeyCVCOVKCHHDOSJQ-UHFFFAOYSA-N
MW400.52 g/mol
LogP5.11
Rot. Bonds12

About 6-[4-(4-prop-2-enoyloxycyclohexyl)phenoxy]hexyl prop-2-enoate

6-[4-(4-prop-2-enoyloxycyclohexyl)phenoxy]hexyl prop-2-enoate (PubChem CID 58185084) has the molecular formula C24H32O5 and a molecular weight of 400.52 g/mol. Its IUPAC name is 6-[4-(4-prop-2-enoyloxycyclohexyl)phenoxy]hexyl prop-2-enoate.

Molecular Properties

Compound Name6-[4-(4-prop-2-enoyloxycyclohexyl)phenoxy]hexyl prop-2-enoate
PubChem CID58185084
Molecular FormulaC24H32O5
Molecular Weight400.52 g/mol
Exact Mass400.22
IUPAC Name6-[4-(4-prop-2-enoyloxycyclohexyl)phenoxy]hexyl prop-2-enoate
SMILESC=CC(=O)OCCCCCCOc1ccc(C2CCC(OC(=O)C=C)CC2)cc1
InChIInChI=1S/C24H32O5/c1-3-23(25)28-18-8-6-5-7-17-27-21-13-9-19(10-14-21)20-11-15-22(16-12-20)29-24(26)4-2/h3-4,9-10,13-14,20,22H,1-2,5-8,11-12,15-18H2
InChIKeyCVCOVKCHHDOSJQ-UHFFFAOYSA-N
XLogP5.11
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 ≤ 55.11
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

6-[4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]phenoxy]hexyl prop-2-enoate
CID 161214482
6-[4-(4-pentylcyclohexyl)phenoxy]hexyl prop-2-enoate
CID 21036152
6-[4-[[4-(4-propylcyclohexyl)phenyl]methyl]phenoxy]hexyl prop-2-enoate
CID 59222480
6-[4-[4-[3-methyl-4-(4-methylphenyl)phenyl]cyclohexyl]phenoxy]hexyl prop-2-enoate
CID 144623901
cyclohexyl (E)-3-[4-(6-prop-2-enoyloxyhexoxy)phenyl]prop-2-enoate
CID 166880070
4-(4-hydroxyphenoxy)butyl prop-2-enoate
CID 20566713
4-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] 1-O-(6-prop-2-enoyloxyhexyl) cyclohexane-1,4-dicarboxylate
CID 142301447
4-[3-methyl-4-[4-[4-(4-prop-2-enylperoxybutoxy)phenyl]cyclohexyl]phenoxy]butyl prop-2-enoate
CID 90874273
4-[4-(prop-2-enoyloxymethoxy)phenyl]cyclohexane-1-carboxylic acid
CID 131973799
12-(4-formylphenoxy)dodecyl prop-2-enoate
CID 174341299
4-(10-prop-2-enoyloxydecoxy)benzoic acid
CID 18942550
5-[2-[4-(5-prop-2-enoyloxypentoxy)phenyl]-1,3-dioxan-5-yl]pentyl prop-2-enoate
CID 20607645

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-prop-2-enoyloxycyclohexyl)phenoxy]hexyl prop-2-enoate?
The IUPAC name of 6-[4-(4-prop-2-enoyloxycyclohexyl)phenoxy]hexyl prop-2-enoate (CID 58185084) is 6-[4-(4-prop-2-enoyloxycyclohexyl)phenoxy]hexyl prop-2-enoate.
What is the SMILES notation for 6-[4-(4-prop-2-enoyloxycyclohexyl)phenoxy]hexyl prop-2-enoate?
The canonical SMILES for 6-[4-(4-prop-2-enoyloxycyclohexyl)phenoxy]hexyl prop-2-enoate is C=CC(=O)OCCCCCCOc1ccc(C2CCC(OC(=O)C=C)CC2)cc1.
What is the InChIKey of 6-[4-(4-prop-2-enoyloxycyclohexyl)phenoxy]hexyl prop-2-enoate?
The InChIKey is CVCOVKCHHDOSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32O5/c1-3-23(25)28-18-8-6-5-7-17-27-21-13-9-19(10-14-21)20-11-15-22(16-12-20)29-24(26)4-2/h3-4,9-10,13-14,20,22H,1-2,5-8,11-12,15-18H2.
What are the key properties of 6-[4-(4-prop-2-enoyloxycyclohexyl)phenoxy]hexyl prop-2-enoate?
6-[4-(4-prop-2-enoyloxycyclohexyl)phenoxy]hexyl prop-2-enoate has a molecular weight of 400.52 g/mol, XLogP of 5.11, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-prop-2-enoyloxycyclohexyl)phenoxy]hexyl prop-2-enoate is sourced from PubChem (CID 58185084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).