[6-(4-hex-5-enoyloxybenzoyl)oxynaphthalen-2-yl] 4-hex-5-enoyloxybenzoate

C36H32O8 — CID 164792083

IUPAC[6-(4-hex-5-enoyloxybenzoyl)oxynaphthalen-2-yl] 4-hex-5-enoyloxybenzoate
SMILESC=CCCCC(=O)Oc1ccc(C(=O)Oc2ccc3cc(OC(=O)c4ccc(OC(=O)CCCC=C)cc4)ccc3c2)cc1
InChIInChI=1S/C36H32O8/c1-3-5-7-9-33(37)41-29-17-11-25(12-18-29)35(39)43-31-21-15-28-24-32(22-16-27(28)23-31)44-36(40)26-13-19-30(20-14-26)42-34(38)10-8-6-4-2/h3-4,11-24H,1-2,5-10H2
InChIKeyLMIGWYZTOGCJJV-UHFFFAOYSA-N
MW592.64 g/mol
LogP7.80
Rot. Bonds14

About [6-(4-hex-5-enoyloxybenzoyl)oxynaphthalen-2-yl] 4-hex-5-enoyloxybenzoate

[6-(4-hex-5-enoyloxybenzoyl)oxynaphthalen-2-yl] 4-hex-5-enoyloxybenzoate (PubChem CID 164792083) has the molecular formula C36H32O8 and a molecular weight of 592.64 g/mol. Its IUPAC name is [6-(4-hex-5-enoyloxybenzoyl)oxynaphthalen-2-yl] 4-hex-5-enoyloxybenzoate.

Molecular Properties

Compound Name[6-(4-hex-5-enoyloxybenzoyl)oxynaphthalen-2-yl] 4-hex-5-enoyloxybenzoate
PubChem CID164792083
Molecular FormulaC36H32O8
Molecular Weight592.64 g/mol
Exact Mass592.21
IUPAC Name[6-(4-hex-5-enoyloxybenzoyl)oxynaphthalen-2-yl] 4-hex-5-enoyloxybenzoate
SMILESC=CCCCC(=O)Oc1ccc(C(=O)Oc2ccc3cc(OC(=O)c4ccc(OC(=O)CCCC=C)cc4)ccc3c2)cc1
InChIInChI=1S/C36H32O8/c1-3-5-7-9-33(37)41-29-17-11-25(12-18-29)35(39)43-31-21-15-28-24-32(22-16-27(28)23-31)44-36(40)26-13-19-30(20-14-26)42-34(38)10-8-6-4-2/h3-4,11-24H,1-2,5-10H2
InChIKeyLMIGWYZTOGCJJV-UHFFFAOYSA-N
XLogP7.80
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.64
LogP ≤ 57.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

naphthalen-2-yl undec-10-enoate
CID 4206376
[4-[6-(5-prop-2-enoyloxypentanoyloxy)naphthalene-2-carbonyl]oxyphenyl] 6-(5-prop-2-enoyloxypentanoyloxy)naphthalene-2-carboxylate
CID 118244601
(4-hex-5-enoxyphenyl) 4-hex-5-enoxybenzoate
CID 86174635
[4-[(2S)-2-methylbutoxy]carbonylphenyl] 4-oct-7-enoyloxybenzoate
CID 100918987
(4-prop-2-enoyloxyphenyl) 4-(6-prop-2-enoyloxynaphthalen-2-yl)benzoate
CID 118282452
bis[4-(4-phenylphenoxy)carbonylphenyl] undecanedioate
CID 100930737
4-oxo-4-[4-(4-prop-2-enoxybenzoyl)oxyphenoxy]butanoic acid
CID 19348973
[3-[4-(4-undec-10-enoxyphenyl)benzoyl]oxyphenyl] 4-(4-undec-10-enoxyphenyl)benzoate
CID 101351833
[3-[4-(4-dec-9-enoxyphenyl)benzoyl]oxyphenyl] 4-(4-dec-9-enoxyphenyl)benzoate
CID 101351837
(4-prop-2-enoxyphenyl) 4-prop-2-enoxybenzoate
CID 70257888
[4-[4-chloro-3-[4-(4-undec-10-enoxybenzoyl)oxybenzoyl]oxyphenoxy]carbonylphenyl] 4-undec-10-enoxybenzoate
CID 90825906
(4-non-8-enoxyphenyl) 4-pentoxybenzoate
CID 54371747

Frequently Asked Questions

What is the IUPAC name of [6-(4-hex-5-enoyloxybenzoyl)oxynaphthalen-2-yl] 4-hex-5-enoyloxybenzoate?
The IUPAC name of [6-(4-hex-5-enoyloxybenzoyl)oxynaphthalen-2-yl] 4-hex-5-enoyloxybenzoate (CID 164792083) is [6-(4-hex-5-enoyloxybenzoyl)oxynaphthalen-2-yl] 4-hex-5-enoyloxybenzoate.
What is the SMILES notation for [6-(4-hex-5-enoyloxybenzoyl)oxynaphthalen-2-yl] 4-hex-5-enoyloxybenzoate?
The canonical SMILES for [6-(4-hex-5-enoyloxybenzoyl)oxynaphthalen-2-yl] 4-hex-5-enoyloxybenzoate is C=CCCCC(=O)Oc1ccc(C(=O)Oc2ccc3cc(OC(=O)c4ccc(OC(=O)CCCC=C)cc4)ccc3c2)cc1.
What is the InChIKey of [6-(4-hex-5-enoyloxybenzoyl)oxynaphthalen-2-yl] 4-hex-5-enoyloxybenzoate?
The InChIKey is LMIGWYZTOGCJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H32O8/c1-3-5-7-9-33(37)41-29-17-11-25(12-18-29)35(39)43-31-21-15-28-24-32(22-16-27(28)23-31)44-36(40)26-13-19-30(20-14-26)42-34(38)10-8-6-4-2/h3-4,11-24H,1-2,5-10H2.
What are the key properties of [6-(4-hex-5-enoyloxybenzoyl)oxynaphthalen-2-yl] 4-hex-5-enoyloxybenzoate?
[6-(4-hex-5-enoyloxybenzoyl)oxynaphthalen-2-yl] 4-hex-5-enoyloxybenzoate has a molecular weight of 592.64 g/mol, XLogP of 7.80, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-hex-5-enoyloxybenzoyl)oxynaphthalen-2-yl] 4-hex-5-enoyloxybenzoate is sourced from PubChem (CID 164792083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).