5,6,7,8-tetrahydronaphthalene-2-carbonyloxymethyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate

C23H24O4 — CID 118313504

IUPAC5,6,7,8-tetrahydronaphthalene-2-carbonyloxymethyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate
SMILESO=C(OCOC(=O)c1ccc2c(c1)CCCC2)c1ccc2c(c1)CCCC2
InChIInChI=1S/C23H24O4/c24-22(20-11-9-16-5-1-3-7-18(16)13-20)26-15-27-23(25)21-12-10-17-6-2-4-8-19(17)14-21/h9-14H,1-8,15H2
InChIKeyVVBVTNHMIHJWFH-UHFFFAOYSA-N
MW364.44 g/mol
LogP4.42
Rot. Bonds4

About 5,6,7,8-tetrahydronaphthalene-2-carbonyloxymethyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate

5,6,7,8-tetrahydronaphthalene-2-carbonyloxymethyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate (PubChem CID 118313504) has the molecular formula C23H24O4 and a molecular weight of 364.44 g/mol. Its IUPAC name is 5,6,7,8-tetrahydronaphthalene-2-carbonyloxymethyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate.

Molecular Properties

Compound Name5,6,7,8-tetrahydronaphthalene-2-carbonyloxymethyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate
PubChem CID118313504
Molecular FormulaC23H24O4
Molecular Weight364.44 g/mol
Exact Mass364.17
IUPAC Name5,6,7,8-tetrahydronaphthalene-2-carbonyloxymethyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate
SMILESO=C(OCOC(=O)c1ccc2c(c1)CCCC2)c1ccc2c(c1)CCCC2
InChIInChI=1S/C23H24O4/c24-22(20-11-9-16-5-1-3-7-18(16)13-20)26-15-27-23(25)21-12-10-17-6-2-4-8-19(17)14-21/h9-14H,1-8,15H2
InChIKeyVVBVTNHMIHJWFH-UHFFFAOYSA-N
XLogP4.42
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

prop-2-enyl 2,3-dihydro-1H-indene-5-carboxylate
CID 58125258
[2-(4-fluorophenyl)-2-oxoethyl] 5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 7706150
(4-methoxycarbonylphenyl)methyl 2,3-dihydro-1H-indene-5-carboxylate
CID 9010500
5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 25958
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 7706658
[2-(4-fluoroanilino)-2-oxoethyl] 5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 7706173
[2-(2-methoxyethylamino)-2-oxoethyl] 5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 7706555
[2-(3,5-dichloroanilino)-2-oxoethyl] 5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 7706306
5,6,7,8,9,10,11,12-octahydrobenzo[10]annulene-3-carboxylic acid
CID 163567467
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 55392584
ethyl 4-methyl-3-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)benzoate
CID 100704068
[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 7706321

Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydronaphthalene-2-carbonyloxymethyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate?
The IUPAC name of 5,6,7,8-tetrahydronaphthalene-2-carbonyloxymethyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate (CID 118313504) is 5,6,7,8-tetrahydronaphthalene-2-carbonyloxymethyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate.
What is the SMILES notation for 5,6,7,8-tetrahydronaphthalene-2-carbonyloxymethyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate?
The canonical SMILES for 5,6,7,8-tetrahydronaphthalene-2-carbonyloxymethyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate is O=C(OCOC(=O)c1ccc2c(c1)CCCC2)c1ccc2c(c1)CCCC2.
What is the InChIKey of 5,6,7,8-tetrahydronaphthalene-2-carbonyloxymethyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate?
The InChIKey is VVBVTNHMIHJWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O4/c24-22(20-11-9-16-5-1-3-7-18(16)13-20)26-15-27-23(25)21-12-10-17-6-2-4-8-19(17)14-21/h9-14H,1-8,15H2.
What are the key properties of 5,6,7,8-tetrahydronaphthalene-2-carbonyloxymethyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate?
5,6,7,8-tetrahydronaphthalene-2-carbonyloxymethyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate has a molecular weight of 364.44 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydronaphthalene-2-carbonyloxymethyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate is sourced from PubChem (CID 118313504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).