ethyl 5-formyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate

C14H16O3 — CID 21289481

IUPACethyl 5-formyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)CCCC2C=O
InChIInChI=1S/C14H16O3/c1-2-17-14(16)11-6-7-13-10(8-11)4-3-5-12(13)9-15/h6-9,12H,2-5H2,1H3
InChIKeyNEEOVARIQQQZQW-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.48
Rot. Bonds3

About ethyl 5-formyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate

ethyl 5-formyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate (PubChem CID 21289481) has the molecular formula C14H16O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is ethyl 5-formyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-formyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate
PubChem CID21289481
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Nameethyl 5-formyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)CCCC2C=O
InChIInChI=1S/C14H16O3/c1-2-17-14(16)11-6-7-13-10(8-11)4-3-5-12(13)9-15/h6-9,12H,2-5H2,1H3
InChIKeyNEEOVARIQQQZQW-UHFFFAOYSA-N
XLogP2.48
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 1-formyl-2,3-dihydro-1H-indene-5-carboxylate
CID 86071683
ethyl 3-amino-2,3-dihydro-1H-indene-5-carboxylate
CID 66825919
(6-methoxycarbonyl-1,2,3,4-tetrahydronaphthalen-1-yl)azanium
CID 163859823
ethyl 1-(2-morpholin-4-ylethyliminomethyl)-2,3-dihydro-1H-indene-5-carboxylate
CID 147030029
6-(dimethylamino)-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde
CID 105455582
ethyl 5-[(5-ethoxy-5-oxopentyl)-[2-(2-hydroxyphenyl)ethyl]amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 118179072
ethyl 7-amino-5,6,7,8-tetrahydronaphthalene-2-carboxylate;hydrochloride
CID 19386054
ethyl 1,2-dimethyl-3,4-dihydro-2H-quinoline-6-carboxylate
CID 141309209
ethyl (4R)-4-methyl-1,2,3,4-tetrahydroisoquinoline-7-carboxylate
CID 162434944
ethyl 4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthrene-2-carboxylate
CID 142943737
diethyl benzene-1,3-dicarboxylate
CID 12491
ethyl 3-(ethylamino)-2,3-dihydro-1H-indene-5-carboxylate
CID 66825773

Frequently Asked Questions

What is the IUPAC name of ethyl 5-formyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate?
The IUPAC name of ethyl 5-formyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate (CID 21289481) is ethyl 5-formyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate.
What is the SMILES notation for ethyl 5-formyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate?
The canonical SMILES for ethyl 5-formyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate is CCOC(=O)c1ccc2c(c1)CCCC2C=O.
What is the InChIKey of ethyl 5-formyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate?
The InChIKey is NEEOVARIQQQZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O3/c1-2-17-14(16)11-6-7-13-10(8-11)4-3-5-12(13)9-15/h6-9,12H,2-5H2,1H3.
What are the key properties of ethyl 5-formyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate?
ethyl 5-formyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate has a molecular weight of 232.28 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-formyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate is sourced from PubChem (CID 21289481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).