dimethyl 2-[2-[4-(4-methoxy-3-methoxycarbonyl-4-oxobutoxy)naphthalen-1-yl]oxyethyl]propanedioate

C24H28O10 — CID 175948791

IUPACdimethyl 2-[2-[4-(4-methoxy-3-methoxycarbonyl-4-oxobutoxy)naphthalen-1-yl]oxyethyl]propanedioate
SMILESCOC(=O)C(CCOc1ccc(OCCC(C(=O)OC)C(=O)OC)c2ccccc12)C(=O)OC
InChIInChI=1S/C24H28O10/c1-29-21(25)17(22(26)30-2)11-13-33-19-9-10-20(16-8-6-5-7-15(16)19)34-14-12-18(23(27)31-3)24(28)32-4/h5-10,17-18H,11-14H2,1-4H3
InChIKeyXSPTWPYOKVGRAI-UHFFFAOYSA-N
MW476.48 g/mol
LogP2.30
Rot. Bonds12

About dimethyl 2-[2-[4-(4-methoxy-3-methoxycarbonyl-4-oxobutoxy)naphthalen-1-yl]oxyethyl]propanedioate

dimethyl 2-[2-[4-(4-methoxy-3-methoxycarbonyl-4-oxobutoxy)naphthalen-1-yl]oxyethyl]propanedioate (PubChem CID 175948791) has the molecular formula C24H28O10 and a molecular weight of 476.48 g/mol. Its IUPAC name is dimethyl 2-[2-[4-(4-methoxy-3-methoxycarbonyl-4-oxobutoxy)naphthalen-1-yl]oxyethyl]propanedioate.

Molecular Properties

Compound Namedimethyl 2-[2-[4-(4-methoxy-3-methoxycarbonyl-4-oxobutoxy)naphthalen-1-yl]oxyethyl]propanedioate
PubChem CID175948791
Molecular FormulaC24H28O10
Molecular Weight476.48 g/mol
Exact Mass476.17
IUPAC Namedimethyl 2-[2-[4-(4-methoxy-3-methoxycarbonyl-4-oxobutoxy)naphthalen-1-yl]oxyethyl]propanedioate
SMILESCOC(=O)C(CCOc1ccc(OCCC(C(=O)OC)C(=O)OC)c2ccccc12)C(=O)OC
InChIInChI=1S/C24H28O10/c1-29-21(25)17(22(26)30-2)11-13-33-19-9-10-20(16-8-6-5-7-15(16)19)34-14-12-18(23(27)31-3)24(28)32-4/h5-10,17-18H,11-14H2,1-4H3
InChIKeyXSPTWPYOKVGRAI-UHFFFAOYSA-N
XLogP2.30
TPSA123.66 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.48
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze dimethyl 2-[2-[4-(4-methoxy-3-methoxycarbonyl-4-oxobutoxy)naphthalen-1-yl]oxyethyl]propanedioate with MolForge

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Related Compounds

2-methoxycarbonyl-4-(2-methoxyphenoxy)butanoic acid
CID 103973316
4-(3-methylbutoxy)naphthalene-1-sulfonamide
CID 43164550
methyl 2-[4-[4-(2-methoxy-2-oxoethoxy)naphthalen-1-yl]naphthalen-1-yl]oxyacetate
CID 172816463
dimethyl 2-(3-oxo-3-phenylpropyl)propanedioate
CID 13380846
1-(2-methoxyethoxy)-4-methylnaphthalene
CID 90431362
(2S)-2-amino-4-naphthalen-1-yloxybutanamide
CID 174561854
dimethyl 2-(3-phenylmethoxypropyl)propanedioate
CID 170992106
2-amino-4-naphthalen-1-yloxybutanamide
CID 63040100
3-(4-methylnaphthalen-1-yl)oxy-1-phenylpropan-1-amine
CID 19884969
1,4-dibutoxynaphthalene
CID 22016411
methyl 2-(ethylamino)-4-(2-ethylphenoxy)butanoate
CID 55143393
3-(4-aminonaphthalen-1-yl)oxy-N,N-dimethylpropanamide
CID 63691333

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-[2-[4-(4-methoxy-3-methoxycarbonyl-4-oxobutoxy)naphthalen-1-yl]oxyethyl]propanedioate?
The IUPAC name of dimethyl 2-[2-[4-(4-methoxy-3-methoxycarbonyl-4-oxobutoxy)naphthalen-1-yl]oxyethyl]propanedioate (CID 175948791) is dimethyl 2-[2-[4-(4-methoxy-3-methoxycarbonyl-4-oxobutoxy)naphthalen-1-yl]oxyethyl]propanedioate.
What is the SMILES notation for dimethyl 2-[2-[4-(4-methoxy-3-methoxycarbonyl-4-oxobutoxy)naphthalen-1-yl]oxyethyl]propanedioate?
The canonical SMILES for dimethyl 2-[2-[4-(4-methoxy-3-methoxycarbonyl-4-oxobutoxy)naphthalen-1-yl]oxyethyl]propanedioate is COC(=O)C(CCOc1ccc(OCCC(C(=O)OC)C(=O)OC)c2ccccc12)C(=O)OC.
What is the InChIKey of dimethyl 2-[2-[4-(4-methoxy-3-methoxycarbonyl-4-oxobutoxy)naphthalen-1-yl]oxyethyl]propanedioate?
The InChIKey is XSPTWPYOKVGRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28O10/c1-29-21(25)17(22(26)30-2)11-13-33-19-9-10-20(16-8-6-5-7-15(16)19)34-14-12-18(23(27)31-3)24(28)32-4/h5-10,17-18H,11-14H2,1-4H3.
What are the key properties of dimethyl 2-[2-[4-(4-methoxy-3-methoxycarbonyl-4-oxobutoxy)naphthalen-1-yl]oxyethyl]propanedioate?
dimethyl 2-[2-[4-(4-methoxy-3-methoxycarbonyl-4-oxobutoxy)naphthalen-1-yl]oxyethyl]propanedioate has a molecular weight of 476.48 g/mol, XLogP of 2.30, 12 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-[2-[4-(4-methoxy-3-methoxycarbonyl-4-oxobutoxy)naphthalen-1-yl]oxyethyl]propanedioate is sourced from PubChem (CID 175948791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).