ethyl 6-[1-(hydroxyiminomethyl)naphthalen-2-yl]oxyhexanoate

C19H23NO4 — CID 86662492

IUPACethyl 6-[1-(hydroxyiminomethyl)naphthalen-2-yl]oxyhexanoate
SMILESCCOC(=O)CCCCCOc1ccc2ccccc2c1C=NO
InChIInChI=1S/C19H23NO4/c1-2-23-19(21)10-4-3-7-13-24-18-12-11-15-8-5-6-9-16(15)17(18)14-20-22/h5-6,8-9,11-12,14,22H,2-4,7,10,13H2,1H3
InChIKeyWBPHWUQGBYJJSC-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.15
Rot. Bonds9

About ethyl 6-[1-(hydroxyiminomethyl)naphthalen-2-yl]oxyhexanoate

ethyl 6-[1-(hydroxyiminomethyl)naphthalen-2-yl]oxyhexanoate (PubChem CID 86662492) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is ethyl 6-[1-(hydroxyiminomethyl)naphthalen-2-yl]oxyhexanoate.

Molecular Properties

Compound Nameethyl 6-[1-(hydroxyiminomethyl)naphthalen-2-yl]oxyhexanoate
PubChem CID86662492
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Nameethyl 6-[1-(hydroxyiminomethyl)naphthalen-2-yl]oxyhexanoate
SMILESCCOC(=O)CCCCCOc1ccc2ccccc2c1C=NO
InChIInChI=1S/C19H23NO4/c1-2-23-19(21)10-4-3-7-13-24-18-12-11-15-8-5-6-9-16(15)17(18)14-20-22/h5-6,8-9,11-12,14,22H,2-4,7,10,13H2,1H3
InChIKeyWBPHWUQGBYJJSC-UHFFFAOYSA-N
XLogP4.15
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 6-(1-formylnaphthalen-2-yl)oxyhexanoate
CID 86662491
ethyl 19-anthracen-1-yloxynonadecanoate
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ethyl 15-anthracen-1-yloxypentadecanoate
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N-[[2-(2-phenylethoxy)naphthalen-1-yl]methylidene]hydroxylamine
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(NE)-N-[[2-[(2-methylphenyl)methoxy]naphthalen-1-yl]methylidene]hydroxylamine
CID 42312904
N-[(2-methoxynaphthalen-1-yl)methylidene]hydroxylamine
CID 708036
ethyl 2-(6-naphthalen-1-yloxyhexanoylamino)acetate
CID 122182969
ethyl 6-(2-prop-1-enylphenoxy)hexanoate
CID 77024450
N-[(2-phenylmethoxynaphthalen-1-yl)methylidene]hydroxylamine
CID 807879
2-naphthalen-1-yloxyethyl octadecanoate
CID 154105287
2-heptoxynaphthalene-1-carbaldehyde
CID 43505602
ethyl 9-(3-bromo-2-methylphenoxy)nonanoate
CID 170321461

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[1-(hydroxyiminomethyl)naphthalen-2-yl]oxyhexanoate?
The IUPAC name of ethyl 6-[1-(hydroxyiminomethyl)naphthalen-2-yl]oxyhexanoate (CID 86662492) is ethyl 6-[1-(hydroxyiminomethyl)naphthalen-2-yl]oxyhexanoate.
What is the SMILES notation for ethyl 6-[1-(hydroxyiminomethyl)naphthalen-2-yl]oxyhexanoate?
The canonical SMILES for ethyl 6-[1-(hydroxyiminomethyl)naphthalen-2-yl]oxyhexanoate is CCOC(=O)CCCCCOc1ccc2ccccc2c1C=NO.
What is the InChIKey of ethyl 6-[1-(hydroxyiminomethyl)naphthalen-2-yl]oxyhexanoate?
The InChIKey is WBPHWUQGBYJJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4/c1-2-23-19(21)10-4-3-7-13-24-18-12-11-15-8-5-6-9-16(15)17(18)14-20-22/h5-6,8-9,11-12,14,22H,2-4,7,10,13H2,1H3.
What are the key properties of ethyl 6-[1-(hydroxyiminomethyl)naphthalen-2-yl]oxyhexanoate?
ethyl 6-[1-(hydroxyiminomethyl)naphthalen-2-yl]oxyhexanoate has a molecular weight of 329.40 g/mol, XLogP of 4.15, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[1-(hydroxyiminomethyl)naphthalen-2-yl]oxyhexanoate is sourced from PubChem (CID 86662492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).