diethyl (2R)-2-[naphthalen-2-yl(prop-2-enoxy)methyl]butanedioate

C22H26O5 — CID 54362381

IUPACdiethyl (2R)-2-[naphthalen-2-yl(prop-2-enoxy)methyl]butanedioate
SMILESC=CCOC(c1ccc2ccccc2c1)[C@@H](CC(=O)OCC)C(=O)OCC
InChIInChI=1S/C22H26O5/c1-4-13-27-21(18-12-11-16-9-7-8-10-17(16)14-18)19(22(24)26-6-3)15-20(23)25-5-2/h4,7-12,14,19,21H,1,5-6,13,15H2,2-3H3/t19-,21?/m1/s1
InChIKeyUNKABJCMAYHVCY-YMBRHYMPSA-N
MW370.45 g/mol
LogP4.22
Rot. Bonds10

About diethyl (2R)-2-[naphthalen-2-yl(prop-2-enoxy)methyl]butanedioate

diethyl (2R)-2-[naphthalen-2-yl(prop-2-enoxy)methyl]butanedioate (PubChem CID 54362381) has the molecular formula C22H26O5 and a molecular weight of 370.45 g/mol. Its IUPAC name is diethyl (2R)-2-[naphthalen-2-yl(prop-2-enoxy)methyl]butanedioate.

Molecular Properties

Compound Namediethyl (2R)-2-[naphthalen-2-yl(prop-2-enoxy)methyl]butanedioate
PubChem CID54362381
Molecular FormulaC22H26O5
Molecular Weight370.45 g/mol
Exact Mass370.18
IUPAC Namediethyl (2R)-2-[naphthalen-2-yl(prop-2-enoxy)methyl]butanedioate
SMILESC=CCOC(c1ccc2ccccc2c1)[C@@H](CC(=O)OCC)C(=O)OCC
InChIInChI=1S/C22H26O5/c1-4-13-27-21(18-12-11-16-9-7-8-10-17(16)14-18)19(22(24)26-6-3)15-20(23)25-5-2/h4,7-12,14,19,21H,1,5-6,13,15H2,2-3H3/t19-,21?/m1/s1
InChIKeyUNKABJCMAYHVCY-YMBRHYMPSA-N
XLogP4.22
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethyl (3S)-3-hydroxy-3-naphthalen-2-ylpropanoate
CID 13023961
diethyl 2,3-dinaphthalen-2-ylbutanedioate
CID 611707
ethyl (3R)-3-amino-2-fluoro-3-naphthalen-2-ylpropanoate
CID 171240068
ethyl 2-(1-naphthalen-2-ylethylamino)acetate
CID 60680493
(3S)-3-naphthalen-2-yl-3-(prop-2-enoxycarbonylamino)propanoic acid
CID 167739374
ethyl [naphthalen-2-yl(phenyl)methyl] carbonate
CID 67900296
ethyl 3-phenylhex-5-enoate
CID 11481375
diethyl 2-[(1S)-1-naphthalen-2-yl-2-nitroethyl]propanedioate
CID 101443052
methyl (3R)-3-amino-3-naphthalen-2-ylpropanoate
CID 29059560
ethyl (2S)-2-formyl-3-naphthalen-2-ylpropanoate
CID 125487016
ethyl (3S)-2,2-difluoro-3-naphthalen-2-yl-3-propanoyloxypropanoate
CID 102406354
ethyl 5-amino-4-methyl-5-naphthalen-2-ylpent-2-enoate
CID 57289580

Frequently Asked Questions

What is the IUPAC name of diethyl (2R)-2-[naphthalen-2-yl(prop-2-enoxy)methyl]butanedioate?
The IUPAC name of diethyl (2R)-2-[naphthalen-2-yl(prop-2-enoxy)methyl]butanedioate (CID 54362381) is diethyl (2R)-2-[naphthalen-2-yl(prop-2-enoxy)methyl]butanedioate.
What is the SMILES notation for diethyl (2R)-2-[naphthalen-2-yl(prop-2-enoxy)methyl]butanedioate?
The canonical SMILES for diethyl (2R)-2-[naphthalen-2-yl(prop-2-enoxy)methyl]butanedioate is C=CCOC(c1ccc2ccccc2c1)[C@@H](CC(=O)OCC)C(=O)OCC.
What is the InChIKey of diethyl (2R)-2-[naphthalen-2-yl(prop-2-enoxy)methyl]butanedioate?
The InChIKey is UNKABJCMAYHVCY-YMBRHYMPSA-N. The full InChI is InChI=1S/C22H26O5/c1-4-13-27-21(18-12-11-16-9-7-8-10-17(16)14-18)19(22(24)26-6-3)15-20(23)25-5-2/h4,7-12,14,19,21H,1,5-6,13,15H2,2-3H3/t19-,21?/m1/s1.
What are the key properties of diethyl (2R)-2-[naphthalen-2-yl(prop-2-enoxy)methyl]butanedioate?
diethyl (2R)-2-[naphthalen-2-yl(prop-2-enoxy)methyl]butanedioate has a molecular weight of 370.45 g/mol, XLogP of 4.22, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl (2R)-2-[naphthalen-2-yl(prop-2-enoxy)methyl]butanedioate is sourced from PubChem (CID 54362381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).