ethyl 6-(1-formylnaphthalen-2-yl)oxyhexanoate

C19H22O4 — CID 86662491

IUPACethyl 6-(1-formylnaphthalen-2-yl)oxyhexanoate
SMILESCCOC(=O)CCCCCOc1ccc2ccccc2c1C=O
InChIInChI=1S/C19H22O4/c1-2-22-19(21)10-4-3-7-13-23-18-12-11-15-8-5-6-9-16(15)17(18)14-20/h5-6,8-9,11-12,14H,2-4,7,10,13H2,1H3
InChIKeyYNSCLIBLNRSLHF-UHFFFAOYSA-N
MW314.38 g/mol
LogP4.15
Rot. Bonds9

About ethyl 6-(1-formylnaphthalen-2-yl)oxyhexanoate

ethyl 6-(1-formylnaphthalen-2-yl)oxyhexanoate (PubChem CID 86662491) has the molecular formula C19H22O4 and a molecular weight of 314.38 g/mol. Its IUPAC name is ethyl 6-(1-formylnaphthalen-2-yl)oxyhexanoate.

Molecular Properties

Compound Nameethyl 6-(1-formylnaphthalen-2-yl)oxyhexanoate
PubChem CID86662491
Molecular FormulaC19H22O4
Molecular Weight314.38 g/mol
Exact Mass314.15
IUPAC Nameethyl 6-(1-formylnaphthalen-2-yl)oxyhexanoate
SMILESCCOC(=O)CCCCCOc1ccc2ccccc2c1C=O
InChIInChI=1S/C19H22O4/c1-2-22-19(21)10-4-3-7-13-23-18-12-11-15-8-5-6-9-16(15)17(18)14-20/h5-6,8-9,11-12,14H,2-4,7,10,13H2,1H3
InChIKeyYNSCLIBLNRSLHF-UHFFFAOYSA-N
XLogP4.15
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 54.15
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'}

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Related Compounds

ethyl 6-[1-(hydroxyiminomethyl)naphthalen-2-yl]oxyhexanoate
CID 86662492
2-heptoxynaphthalene-1-carbaldehyde
CID 43505602
2-(5-hydroxypentoxy)naphthalene-1-carbaldehyde
CID 62228685
6-(1-formylnaphthalen-2-yl)oxyhexyl prop-2-enoate
CID 20798470
ethyl 19-anthracen-1-yloxynonadecanoate
CID 175607147
ethyl 15-anthracen-1-yloxypentadecanoate
CID 175607190
3-(1-formylnaphthalen-2-yl)oxy-N-methylpropanamide
CID 62326134
2-(3-methylsulfanylpropoxy)naphthalene-1-carbaldehyde
CID 115659116
ethyl 2-(6-naphthalen-1-yloxyhexanoylamino)acetate
CID 122182969
ethyl 6-(2-prop-1-enylphenoxy)hexanoate
CID 77024450
(1-formylnaphthalen-2-yl) acetate
CID 2063426
4-(1-formylnaphthalen-2-yl)oxybutanenitrile
CID 43389591

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(1-formylnaphthalen-2-yl)oxyhexanoate?
The IUPAC name of ethyl 6-(1-formylnaphthalen-2-yl)oxyhexanoate (CID 86662491) is ethyl 6-(1-formylnaphthalen-2-yl)oxyhexanoate.
What is the SMILES notation for ethyl 6-(1-formylnaphthalen-2-yl)oxyhexanoate?
The canonical SMILES for ethyl 6-(1-formylnaphthalen-2-yl)oxyhexanoate is CCOC(=O)CCCCCOc1ccc2ccccc2c1C=O.
What is the InChIKey of ethyl 6-(1-formylnaphthalen-2-yl)oxyhexanoate?
The InChIKey is YNSCLIBLNRSLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O4/c1-2-22-19(21)10-4-3-7-13-23-18-12-11-15-8-5-6-9-16(15)17(18)14-20/h5-6,8-9,11-12,14H,2-4,7,10,13H2,1H3.
What are the key properties of ethyl 6-(1-formylnaphthalen-2-yl)oxyhexanoate?
ethyl 6-(1-formylnaphthalen-2-yl)oxyhexanoate has a molecular weight of 314.38 g/mol, XLogP of 4.15, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(1-formylnaphthalen-2-yl)oxyhexanoate is sourced from PubChem (CID 86662491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).