6-(1-formylnaphthalen-2-yl)oxyhexyl prop-2-enoate

C20H22O4 — CID 20798470

IUPAC6-(1-formylnaphthalen-2-yl)oxyhexyl prop-2-enoate
SMILESC=CC(=O)OCCCCCCOc1ccc2ccccc2c1C=O
InChIInChI=1S/C20H22O4/c1-2-20(22)24-14-8-4-3-7-13-23-19-12-11-16-9-5-6-10-17(16)18(19)15-21/h2,5-6,9-12,15H,1,3-4,7-8,13-14H2
InChIKeyYQJGUBJGWZLCEY-UHFFFAOYSA-N
MW326.39 g/mol
LogP4.32
Rot. Bonds10

About 6-(1-formylnaphthalen-2-yl)oxyhexyl prop-2-enoate

6-(1-formylnaphthalen-2-yl)oxyhexyl prop-2-enoate (PubChem CID 20798470) has the molecular formula C20H22O4 and a molecular weight of 326.39 g/mol. Its IUPAC name is 6-(1-formylnaphthalen-2-yl)oxyhexyl prop-2-enoate.

Molecular Properties

Compound Name6-(1-formylnaphthalen-2-yl)oxyhexyl prop-2-enoate
PubChem CID20798470
Molecular FormulaC20H22O4
Molecular Weight326.39 g/mol
Exact Mass326.15
IUPAC Name6-(1-formylnaphthalen-2-yl)oxyhexyl prop-2-enoate
SMILESC=CC(=O)OCCCCCCOc1ccc2ccccc2c1C=O
InChIInChI=1S/C20H22O4/c1-2-20(22)24-14-8-4-3-7-13-23-19-12-11-16-9-5-6-10-17(16)18(19)15-21/h2,5-6,9-12,15H,1,3-4,7-8,13-14H2
InChIKeyYQJGUBJGWZLCEY-UHFFFAOYSA-N
XLogP4.32
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(5-hydroxypentoxy)naphthalene-1-carbaldehyde
CID 62228685
2-heptoxynaphthalene-1-carbaldehyde
CID 43505602
4-[1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxybutyl prop-2-enoate
CID 22913120
ethyl 6-(1-formylnaphthalen-2-yl)oxyhexanoate
CID 86662491
11-naphthalen-2-yloxyundecyl prop-2-enoate
CID 164916140
6-naphthalen-2-yloxyhexyl prop-2-enoate
CID 22598602
2-(3-methylsulfanylpropoxy)naphthalene-1-carbaldehyde
CID 115659116
4-(1-formylnaphthalen-2-yl)oxybutanenitrile
CID 43389591
3-(1-formylnaphthalen-2-yl)oxy-N-methylpropanamide
CID 62326134
4-[[4-naphthalen-1-yloxy-6-(4-prop-2-enoyloxybutoxy)-1,3,5-triazin-2-yl]oxy]butyl prop-2-enoate
CID 118672397
2-(2-phenylethoxy)naphthalene-1-carbaldehyde
CID 22687262
2-[4-[3-[3-[4-(2-prop-2-enoyloxyethoxy)naphthalen-1-yl]naphthalen-2-yl]naphthalen-2-yl]naphthalen-1-yl]oxyethyl prop-2-enoate
CID 118232952

Frequently Asked Questions

What is the IUPAC name of 6-(1-formylnaphthalen-2-yl)oxyhexyl prop-2-enoate?
The IUPAC name of 6-(1-formylnaphthalen-2-yl)oxyhexyl prop-2-enoate (CID 20798470) is 6-(1-formylnaphthalen-2-yl)oxyhexyl prop-2-enoate.
What is the SMILES notation for 6-(1-formylnaphthalen-2-yl)oxyhexyl prop-2-enoate?
The canonical SMILES for 6-(1-formylnaphthalen-2-yl)oxyhexyl prop-2-enoate is C=CC(=O)OCCCCCCOc1ccc2ccccc2c1C=O.
What is the InChIKey of 6-(1-formylnaphthalen-2-yl)oxyhexyl prop-2-enoate?
The InChIKey is YQJGUBJGWZLCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O4/c1-2-20(22)24-14-8-4-3-7-13-23-19-12-11-16-9-5-6-10-17(16)18(19)15-21/h2,5-6,9-12,15H,1,3-4,7-8,13-14H2.
What are the key properties of 6-(1-formylnaphthalen-2-yl)oxyhexyl prop-2-enoate?
6-(1-formylnaphthalen-2-yl)oxyhexyl prop-2-enoate has a molecular weight of 326.39 g/mol, XLogP of 4.32, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-formylnaphthalen-2-yl)oxyhexyl prop-2-enoate is sourced from PubChem (CID 20798470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).