(E)-3-[6-(8-prop-2-enoyloxyoctoxy)naphthalen-2-yl]prop-2-enoic acid

C24H28O5 — CID 144827008

IUPAC(E)-3-[6-(8-prop-2-enoyloxyoctoxy)naphthalen-2-yl]prop-2-enoic acid
SMILESC=CC(=O)OCCCCCCCCOc1ccc2cc(/C=C/C(=O)O)ccc2c1
InChIInChI=1S/C24H28O5/c1-2-24(27)29-16-8-6-4-3-5-7-15-28-22-13-12-20-17-19(10-14-23(25)26)9-11-21(20)18-22/h2,9-14,17-18H,1,3-8,15-16H2,(H,25,26)/b14-10+
InChIKeyXLNDEAUNWZDYAV-GXDHUFHOSA-N
MW396.48 g/mol
LogP5.39
Rot. Bonds13

About (E)-3-[6-(8-prop-2-enoyloxyoctoxy)naphthalen-2-yl]prop-2-enoic acid

(E)-3-[6-(8-prop-2-enoyloxyoctoxy)naphthalen-2-yl]prop-2-enoic acid (PubChem CID 144827008) has the molecular formula C24H28O5 and a molecular weight of 396.48 g/mol. Its IUPAC name is (E)-3-[6-(8-prop-2-enoyloxyoctoxy)naphthalen-2-yl]prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-[6-(8-prop-2-enoyloxyoctoxy)naphthalen-2-yl]prop-2-enoic acid
PubChem CID144827008
Molecular FormulaC24H28O5
Molecular Weight396.48 g/mol
Exact Mass396.19
IUPAC Name(E)-3-[6-(8-prop-2-enoyloxyoctoxy)naphthalen-2-yl]prop-2-enoic acid
SMILESC=CC(=O)OCCCCCCCCOc1ccc2cc(/C=C/C(=O)O)ccc2c1
InChIInChI=1S/C24H28O5/c1-2-24(27)29-16-8-6-4-3-5-7-15-28-22-13-12-20-17-19(10-14-23(25)26)9-11-21(20)18-22/h2,9-14,17-18H,1,3-8,15-16H2,(H,25,26)/b14-10+
InChIKeyXLNDEAUNWZDYAV-GXDHUFHOSA-N
XLogP5.39
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.48
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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
11-naphthalen-2-yloxyundecyl prop-2-enoate
CID 164916140
6-naphthalen-2-yloxyhexyl prop-2-enoate
CID 22598602
(E)-3-[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl]prop-2-enoic acid
CID 11568339
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
12-(4-formylphenoxy)dodecyl prop-2-enoate
CID 174341299
[4-[4-(6-prop-2-enoyloxyhexoxy)phenyl]phenyl] (E)-3-[3,4-bis(6-prop-2-enoyloxyhexoxy)phenyl]prop-2-enoate
CID 59734899
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
methyl (E)-3-[3-methoxy-4-[6-[4-[2-[6-(6-prop-2-enoyloxyhexoxy)naphthalen-2-yl]ethynyl]phenoxy]hexoxy]phenyl]prop-2-enoate
CID 20730935
4-[4-[4-(4-prop-2-enoyloxybutoxy)phenyl]phenoxy]butyl (E)-3-phenylprop-2-enoate
CID 102145573

Frequently Asked Questions

What is the IUPAC name of (E)-3-[6-(8-prop-2-enoyloxyoctoxy)naphthalen-2-yl]prop-2-enoic acid?
The IUPAC name of (E)-3-[6-(8-prop-2-enoyloxyoctoxy)naphthalen-2-yl]prop-2-enoic acid (CID 144827008) is (E)-3-[6-(8-prop-2-enoyloxyoctoxy)naphthalen-2-yl]prop-2-enoic acid.
What is the SMILES notation for (E)-3-[6-(8-prop-2-enoyloxyoctoxy)naphthalen-2-yl]prop-2-enoic acid?
The canonical SMILES for (E)-3-[6-(8-prop-2-enoyloxyoctoxy)naphthalen-2-yl]prop-2-enoic acid is C=CC(=O)OCCCCCCCCOc1ccc2cc(/C=C/C(=O)O)ccc2c1.
What is the InChIKey of (E)-3-[6-(8-prop-2-enoyloxyoctoxy)naphthalen-2-yl]prop-2-enoic acid?
The InChIKey is XLNDEAUNWZDYAV-GXDHUFHOSA-N. The full InChI is InChI=1S/C24H28O5/c1-2-24(27)29-16-8-6-4-3-5-7-15-28-22-13-12-20-17-19(10-14-23(25)26)9-11-21(20)18-22/h2,9-14,17-18H,1,3-8,15-16H2,(H,25,26)/b14-10+.
What are the key properties of (E)-3-[6-(8-prop-2-enoyloxyoctoxy)naphthalen-2-yl]prop-2-enoic acid?
(E)-3-[6-(8-prop-2-enoyloxyoctoxy)naphthalen-2-yl]prop-2-enoic acid has a molecular weight of 396.48 g/mol, XLogP of 5.39, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[6-(8-prop-2-enoyloxyoctoxy)naphthalen-2-yl]prop-2-enoic acid is sourced from PubChem (CID 144827008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).