diethyl 3-prop-1-en-2-yl-3,4-dihydro-1H-naphthalene-2,2-dicarboxylate

C19H24O4 — CID 14639521

IUPACdiethyl 3-prop-1-en-2-yl-3,4-dihydro-1H-naphthalene-2,2-dicarboxylate
SMILESC=C(C)C1Cc2ccccc2CC1(C(=O)OCC)C(=O)OCC
InChIInChI=1S/C19H24O4/c1-5-22-17(20)19(18(21)23-6-2)12-15-10-8-7-9-14(15)11-16(19)13(3)4/h7-10,16H,3,5-6,11-12H2,1-2,4H3
InChIKeyGTTJSLJZOAIZDE-UHFFFAOYSA-N
MW316.40 g/mol
LogP3.09
Rot. Bonds5

About diethyl 3-prop-1-en-2-yl-3,4-dihydro-1H-naphthalene-2,2-dicarboxylate

diethyl 3-prop-1-en-2-yl-3,4-dihydro-1H-naphthalene-2,2-dicarboxylate (PubChem CID 14639521) has the molecular formula C19H24O4 and a molecular weight of 316.40 g/mol. Its IUPAC name is diethyl 3-prop-1-en-2-yl-3,4-dihydro-1H-naphthalene-2,2-dicarboxylate.

Molecular Properties

Compound Namediethyl 3-prop-1-en-2-yl-3,4-dihydro-1H-naphthalene-2,2-dicarboxylate
PubChem CID14639521
Molecular FormulaC19H24O4
Molecular Weight316.40 g/mol
Exact Mass316.17
IUPAC Namediethyl 3-prop-1-en-2-yl-3,4-dihydro-1H-naphthalene-2,2-dicarboxylate
SMILESC=C(C)C1Cc2ccccc2CC1(C(=O)OCC)C(=O)OCC
InChIInChI=1S/C19H24O4/c1-5-22-17(20)19(18(21)23-6-2)12-15-10-8-7-9-14(15)11-16(19)13(3)4/h7-10,16H,3,5-6,11-12H2,1-2,4H3
InChIKeyGTTJSLJZOAIZDE-UHFFFAOYSA-N
XLogP3.09
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze diethyl 3-prop-1-en-2-yl-3,4-dihydro-1H-naphthalene-2,2-dicarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Diethyl 2-phenylcyclopropane-1,1-dicarboxylate
CID 258820
Diethyl 2-benzylpropanedioate
CID 69090
Methyl Dehydroabietate
CID 14697
Diethyl phenylmalonate
CID 66514
(1S,4aS,10aR)-1-(hydroxymethyl)-4a-methyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
CID 53820179
Methyl abieta-8,11,13-trien-18-oate
CID 247581
(1S,4aS,10aR)-1-(hydroxymethyl)-4a-methyl-7-prop-1-en-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
CID 145979199
(1S,4aS,10aR)-1-(2-methoxy-2-oxoethyl)-4a-methyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
CID 145987655
(1S,4aS,10aR)-1-(2-methoxy-2-oxoethyl)-4a-methyl-7-prop-1-en-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
CID 145989239
Propanedioic acid, 2-methyl-2-phenyl-, 1,3-diethyl ester
CID 98549
Diethyl ethylphenylmalonate
CID 66450
Diethyl 9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboxylate
CID 275824

Frequently Asked Questions

What is the IUPAC name of diethyl 3-prop-1-en-2-yl-3,4-dihydro-1H-naphthalene-2,2-dicarboxylate?
The IUPAC name of diethyl 3-prop-1-en-2-yl-3,4-dihydro-1H-naphthalene-2,2-dicarboxylate (CID 14639521) is diethyl 3-prop-1-en-2-yl-3,4-dihydro-1H-naphthalene-2,2-dicarboxylate.
What is the SMILES notation for diethyl 3-prop-1-en-2-yl-3,4-dihydro-1H-naphthalene-2,2-dicarboxylate?
The canonical SMILES for diethyl 3-prop-1-en-2-yl-3,4-dihydro-1H-naphthalene-2,2-dicarboxylate is C=C(C)C1Cc2ccccc2CC1(C(=O)OCC)C(=O)OCC.
What is the InChIKey of diethyl 3-prop-1-en-2-yl-3,4-dihydro-1H-naphthalene-2,2-dicarboxylate?
The InChIKey is GTTJSLJZOAIZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O4/c1-5-22-17(20)19(18(21)23-6-2)12-15-10-8-7-9-14(15)11-16(19)13(3)4/h7-10,16H,3,5-6,11-12H2,1-2,4H3.
What are the key properties of diethyl 3-prop-1-en-2-yl-3,4-dihydro-1H-naphthalene-2,2-dicarboxylate?
diethyl 3-prop-1-en-2-yl-3,4-dihydro-1H-naphthalene-2,2-dicarboxylate has a molecular weight of 316.40 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 3-prop-1-en-2-yl-3,4-dihydro-1H-naphthalene-2,2-dicarboxylate is sourced from PubChem (CID 14639521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).