6-[4-[[4-(6-hydroxyhexoxy)phenyl]diazenyl]phenoxy]hexyl prop-2-enoate

C27H36N2O5 — CID 101498124

IUPAC6-[4-[[4-(6-hydroxyhexoxy)phenyl]diazenyl]phenoxy]hexyl prop-2-enoate
SMILESC=CC(=O)OCCCCCCOc1ccc(/N=N/c2ccc(OCCCCCCO)cc2)cc1
InChIInChI=1S/C27H36N2O5/c1-2-27(31)34-22-10-6-5-9-21-33-26-17-13-24(14-18-26)29-28-23-11-15-25(16-12-23)32-20-8-4-3-7-19-30/h2,11-18,30H,1,3-10,19-22H2/b29-28+
InChIKeyUVKSHCFSDADRMQ-ZQHSETAFSA-N
MW468.59 g/mol
LogP6.70
Rot. Bonds18

About 6-[4-[[4-(6-hydroxyhexoxy)phenyl]diazenyl]phenoxy]hexyl prop-2-enoate

6-[4-[[4-(6-hydroxyhexoxy)phenyl]diazenyl]phenoxy]hexyl prop-2-enoate (PubChem CID 101498124) has the molecular formula C27H36N2O5 and a molecular weight of 468.59 g/mol. Its IUPAC name is 6-[4-[[4-(6-hydroxyhexoxy)phenyl]diazenyl]phenoxy]hexyl prop-2-enoate.

Molecular Properties

Compound Name6-[4-[[4-(6-hydroxyhexoxy)phenyl]diazenyl]phenoxy]hexyl prop-2-enoate
PubChem CID101498124
Molecular FormulaC27H36N2O5
Molecular Weight468.59 g/mol
Exact Mass468.26
IUPAC Name6-[4-[[4-(6-hydroxyhexoxy)phenyl]diazenyl]phenoxy]hexyl prop-2-enoate
SMILESC=CC(=O)OCCCCCCOc1ccc(/N=N/c2ccc(OCCCCCCO)cc2)cc1
InChIInChI=1S/C27H36N2O5/c1-2-27(31)34-22-10-6-5-9-21-33-26-17-13-24(14-18-26)29-28-23-11-15-25(16-12-23)32-20-8-4-3-7-19-30/h2,11-18,30H,1,3-10,19-22H2/b29-28+
InChIKeyUVKSHCFSDADRMQ-ZQHSETAFSA-N
XLogP6.70
TPSA89.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.59
LogP ≤ 56.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 6-[4-[[4-(6-hydroxyhexoxy)phenyl]diazenyl]phenoxy]hexyl prop-2-enoate with MolForge

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Related Compounds

6-[4-[[4-[[4-(6-hydroxyhexoxy)phenyl]methyl]phenyl]methyl]phenoxy]hexan-1-ol;6-[4-[[4-[[4-(6-prop-2-enoyloxyhexoxy)phenyl]methyl]phenyl]methyl]phenoxy]hexyl prop-2-enoate
CID 91409634
6-[4-[2-[4-(6-hydroxyhexoxy)phenyl]ethynyl]phenoxy]hexyl prop-2-enoate
CID 20730901
methyl 4-[[4-(8-prop-2-enoyloxyoctoxy)phenyl]diazenyl]benzoate
CID 20615391
3-[4-[[4-[[4-(2-prop-2-enoyloxyethyl)phenyl]diazenyl]phenyl]diazenyl]phenoxy]propyl prop-2-enoate
CID 122548317
6-[4-[[4-(6-hydroxyhexoxy)phenyl]diazenyl]phenoxy]hexan-1-ol
CID 44604101
10-[4-[[4-(10-hydroxydecoxy)phenyl]diazenyl]phenoxy]decan-1-ol
CID 100941913
6-[4-[[4-[2-[4-(10-oxododec-11-enoxy)phenyl]ethenyl]phenyl]diazenyl]phenoxy]hexyl prop-2-enoate
CID 140930643
4-[4-[[3-(hydroxymethyl)-4-[[3-(hydroxymethyl)-4-[[4-(4-prop-2-enoyloxybutoxy)phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]phenoxy]butyl prop-2-enoate
CID 156628743
[4-[4-(8-hydroxyoctoxy)benzoyl]oxyphenyl] 4-(11-prop-2-enoyloxyundecoxy)benzoate
CID 58019589
4-(10-prop-2-enoyloxydecoxy)benzoic acid
CID 18942550
10-hydroxydecyl prop-2-enoate
CID 14715958
11-hydroxyundecyl prop-2-enoate
CID 54223498

Frequently Asked Questions

What is the IUPAC name of 6-[4-[[4-(6-hydroxyhexoxy)phenyl]diazenyl]phenoxy]hexyl prop-2-enoate?
The IUPAC name of 6-[4-[[4-(6-hydroxyhexoxy)phenyl]diazenyl]phenoxy]hexyl prop-2-enoate (CID 101498124) is 6-[4-[[4-(6-hydroxyhexoxy)phenyl]diazenyl]phenoxy]hexyl prop-2-enoate.
What is the SMILES notation for 6-[4-[[4-(6-hydroxyhexoxy)phenyl]diazenyl]phenoxy]hexyl prop-2-enoate?
The canonical SMILES for 6-[4-[[4-(6-hydroxyhexoxy)phenyl]diazenyl]phenoxy]hexyl prop-2-enoate is C=CC(=O)OCCCCCCOc1ccc(/N=N/c2ccc(OCCCCCCO)cc2)cc1.
What is the InChIKey of 6-[4-[[4-(6-hydroxyhexoxy)phenyl]diazenyl]phenoxy]hexyl prop-2-enoate?
The InChIKey is UVKSHCFSDADRMQ-ZQHSETAFSA-N. The full InChI is InChI=1S/C27H36N2O5/c1-2-27(31)34-22-10-6-5-9-21-33-26-17-13-24(14-18-26)29-28-23-11-15-25(16-12-23)32-20-8-4-3-7-19-30/h2,11-18,30H,1,3-10,19-22H2/b29-28+.
What are the key properties of 6-[4-[[4-(6-hydroxyhexoxy)phenyl]diazenyl]phenoxy]hexyl prop-2-enoate?
6-[4-[[4-(6-hydroxyhexoxy)phenyl]diazenyl]phenoxy]hexyl prop-2-enoate has a molecular weight of 468.59 g/mol, XLogP of 6.70, 18 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[[4-(6-hydroxyhexoxy)phenyl]diazenyl]phenoxy]hexyl prop-2-enoate is sourced from PubChem (CID 101498124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).