[(2E,4E)-hexa-2,4-dienyl] 2-(6-methoxynaphthalen-2-yl)propanoate

C20H22O3 — CID 10425510

IUPAC[(2E,4E)-hexa-2,4-dienyl] 2-(6-methoxynaphthalen-2-yl)propanoate
SMILESC/C=C/C=C/COC(=O)C(C)c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C20H22O3/c1-4-5-6-7-12-23-20(21)15(2)16-8-9-18-14-19(22-3)11-10-17(18)13-16/h4-11,13-15H,12H2,1-3H3/b5-4+,7-6+
InChIKeyYGYRHRUPRBIIHB-YTXTXJHMSA-N
MW310.39 g/mol
LogP4.63
Rot. Bonds6

About [(2E,4E)-hexa-2,4-dienyl] 2-(6-methoxynaphthalen-2-yl)propanoate

[(2E,4E)-hexa-2,4-dienyl] 2-(6-methoxynaphthalen-2-yl)propanoate (PubChem CID 10425510) has the molecular formula C20H22O3 and a molecular weight of 310.39 g/mol. Its IUPAC name is [(2E,4E)-hexa-2,4-dienyl] 2-(6-methoxynaphthalen-2-yl)propanoate.

Molecular Properties

Compound Name[(2E,4E)-hexa-2,4-dienyl] 2-(6-methoxynaphthalen-2-yl)propanoate
PubChem CID10425510
Molecular FormulaC20H22O3
Molecular Weight310.39 g/mol
Exact Mass310.16
IUPAC Name[(2E,4E)-hexa-2,4-dienyl] 2-(6-methoxynaphthalen-2-yl)propanoate
SMILESC/C=C/C=C/COC(=O)C(C)c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C20H22O3/c1-4-5-6-7-12-23-20(21)15(2)16-8-9-18-14-19(22-3)11-10-17(18)13-16/h4-11,13-15H,12H2,1-3H3/b5-4+,7-6+
InChIKeyYGYRHRUPRBIIHB-YTXTXJHMSA-N
XLogP4.63
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(1-chloroethoxycarbonyloxy)but-2-enyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 67447856
2-methoxyethyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 101261822
propyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 102378352
butyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 54393649
chloro (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 90693422
prop-2-ynyl 2-(6-methoxynaphthalen-2-yl)propanoate
CID 500306
[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]oxymethylphosphonic acid
CID 10031094
butan-2-yl 2-(6-methoxynaphthalen-2-yl)propanoate
CID 10016853
[4-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]oxymethyl]cyclohexyl]methyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 164936733
heptyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 101261824
3-(6-methoxynaphthalen-2-yl)butan-2-one
CID 13292512
2-chlorosulfonylethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 51351147

Frequently Asked Questions

What is the IUPAC name of [(2E,4E)-hexa-2,4-dienyl] 2-(6-methoxynaphthalen-2-yl)propanoate?
The IUPAC name of [(2E,4E)-hexa-2,4-dienyl] 2-(6-methoxynaphthalen-2-yl)propanoate (CID 10425510) is [(2E,4E)-hexa-2,4-dienyl] 2-(6-methoxynaphthalen-2-yl)propanoate.
What is the SMILES notation for [(2E,4E)-hexa-2,4-dienyl] 2-(6-methoxynaphthalen-2-yl)propanoate?
The canonical SMILES for [(2E,4E)-hexa-2,4-dienyl] 2-(6-methoxynaphthalen-2-yl)propanoate is C/C=C/C=C/COC(=O)C(C)c1ccc2cc(OC)ccc2c1.
What is the InChIKey of [(2E,4E)-hexa-2,4-dienyl] 2-(6-methoxynaphthalen-2-yl)propanoate?
The InChIKey is YGYRHRUPRBIIHB-YTXTXJHMSA-N. The full InChI is InChI=1S/C20H22O3/c1-4-5-6-7-12-23-20(21)15(2)16-8-9-18-14-19(22-3)11-10-17(18)13-16/h4-11,13-15H,12H2,1-3H3/b5-4+,7-6+.
What are the key properties of [(2E,4E)-hexa-2,4-dienyl] 2-(6-methoxynaphthalen-2-yl)propanoate?
[(2E,4E)-hexa-2,4-dienyl] 2-(6-methoxynaphthalen-2-yl)propanoate has a molecular weight of 310.39 g/mol, XLogP of 4.63, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E,4E)-hexa-2,4-dienyl] 2-(6-methoxynaphthalen-2-yl)propanoate is sourced from PubChem (CID 10425510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).