methyl 6-(6-methoxynaphthalen-2-yl)-5-nitroso-6-oxohexanoate

C18H19NO5 — CID 54427745

IUPACmethyl 6-(6-methoxynaphthalen-2-yl)-5-nitroso-6-oxohexanoate
SMILESCOC(=O)CCCC(N=O)C(=O)c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C18H19NO5/c1-23-15-9-8-12-10-14(7-6-13(12)11-15)18(21)16(19-22)4-3-5-17(20)24-2/h6-11,16H,3-5H2,1-2H3
InChIKeyWFHUDDODUSQPFN-UHFFFAOYSA-N
MW329.35 g/mol
LogP3.51
Rot. Bonds8

About methyl 6-(6-methoxynaphthalen-2-yl)-5-nitroso-6-oxohexanoate

methyl 6-(6-methoxynaphthalen-2-yl)-5-nitroso-6-oxohexanoate (PubChem CID 54427745) has the molecular formula C18H19NO5 and a molecular weight of 329.35 g/mol. Its IUPAC name is methyl 6-(6-methoxynaphthalen-2-yl)-5-nitroso-6-oxohexanoate.

Molecular Properties

Compound Namemethyl 6-(6-methoxynaphthalen-2-yl)-5-nitroso-6-oxohexanoate
PubChem CID54427745
Molecular FormulaC18H19NO5
Molecular Weight329.35 g/mol
Exact Mass329.13
IUPAC Namemethyl 6-(6-methoxynaphthalen-2-yl)-5-nitroso-6-oxohexanoate
SMILESCOC(=O)CCCC(N=O)C(=O)c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C18H19NO5/c1-23-15-9-8-12-10-14(7-6-13(12)11-15)18(21)16(19-22)4-3-5-17(20)24-2/h6-11,16H,3-5H2,1-2H3
InChIKeyWFHUDDODUSQPFN-UHFFFAOYSA-N
XLogP3.51
TPSA82.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-bromo-1-(6-methoxynaphthalen-2-yl)butan-1-one
CID 146007341
2-(ethylamino)-1-(6-methoxynaphthalen-2-yl)propan-1-one
CID 138739949
2-(dimethylamino)-1-(6-methoxynaphthalen-2-yl)butan-1-one
CID 71415166
1,5-bis(6-methoxynaphthalen-2-yl)-3-[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl]pentane-1,5-dione
CID 10793824
methyl 6-(4-methoxyphenyl)heptanoate
CID 174989555
methyl 5-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]pentanoate
CID 56871644
3-amino-1-(6-methoxynaphthalen-2-yl)propan-1-one
CID 116915440
1-(6-methoxynaphthalen-2-yl)-3-phenylpropane-1,3-dione
CID 102495157
(7-methoxynaphthalen-2-yl) hexanoate
CID 60592520
1-(6-methoxynaphthalen-2-yl)tetradecan-1-one
CID 608289
methyl 5-(naphthalene-2-carbonylamino)pentanoate
CID 42598707
methyl (5Z)-5-methoxyimino-4-(6-methoxynaphthalen-2-yl)sulfanylhexanoate
CID 19877636

Frequently Asked Questions

What is the IUPAC name of methyl 6-(6-methoxynaphthalen-2-yl)-5-nitroso-6-oxohexanoate?
The IUPAC name of methyl 6-(6-methoxynaphthalen-2-yl)-5-nitroso-6-oxohexanoate (CID 54427745) is methyl 6-(6-methoxynaphthalen-2-yl)-5-nitroso-6-oxohexanoate.
What is the SMILES notation for methyl 6-(6-methoxynaphthalen-2-yl)-5-nitroso-6-oxohexanoate?
The canonical SMILES for methyl 6-(6-methoxynaphthalen-2-yl)-5-nitroso-6-oxohexanoate is COC(=O)CCCC(N=O)C(=O)c1ccc2cc(OC)ccc2c1.
What is the InChIKey of methyl 6-(6-methoxynaphthalen-2-yl)-5-nitroso-6-oxohexanoate?
The InChIKey is WFHUDDODUSQPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO5/c1-23-15-9-8-12-10-14(7-6-13(12)11-15)18(21)16(19-22)4-3-5-17(20)24-2/h6-11,16H,3-5H2,1-2H3.
What are the key properties of methyl 6-(6-methoxynaphthalen-2-yl)-5-nitroso-6-oxohexanoate?
methyl 6-(6-methoxynaphthalen-2-yl)-5-nitroso-6-oxohexanoate has a molecular weight of 329.35 g/mol, XLogP of 3.51, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(6-methoxynaphthalen-2-yl)-5-nitroso-6-oxohexanoate is sourced from PubChem (CID 54427745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).