[(6R)-6-(2-propylphenyl)-5,6,7,8-tetrahydronaphthalen-2-yl] 2,2-dimethylpropanoate

C24H30O2 — CID 58035887

IUPAC[(6R)-6-(2-propylphenyl)-5,6,7,8-tetrahydronaphthalen-2-yl] 2,2-dimethylpropanoate
SMILESCCCc1ccccc1[C@@H]1CCc2cc(OC(=O)C(C)(C)C)ccc2C1
InChIInChI=1S/C24H30O2/c1-5-8-17-9-6-7-10-22(17)20-12-11-19-16-21(14-13-18(19)15-20)26-23(25)24(2,3)4/h6-7,9-10,13-14,16,20H,5,8,11-12,15H2,1-4H3/t20-/m1/s1
InChIKeyNRHWNFMGAPSJQE-HXUWFJFHSA-N
MW350.50 g/mol
LogP5.86
Rot. Bonds4

About [(6R)-6-(2-propylphenyl)-5,6,7,8-tetrahydronaphthalen-2-yl] 2,2-dimethylpropanoate

[(6R)-6-(2-propylphenyl)-5,6,7,8-tetrahydronaphthalen-2-yl] 2,2-dimethylpropanoate (PubChem CID 58035887) has the molecular formula C24H30O2 and a molecular weight of 350.50 g/mol. Its IUPAC name is [(6R)-6-(2-propylphenyl)-5,6,7,8-tetrahydronaphthalen-2-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(6R)-6-(2-propylphenyl)-5,6,7,8-tetrahydronaphthalen-2-yl] 2,2-dimethylpropanoate
PubChem CID58035887
Molecular FormulaC24H30O2
Molecular Weight350.50 g/mol
Exact Mass350.22
IUPAC Name[(6R)-6-(2-propylphenyl)-5,6,7,8-tetrahydronaphthalen-2-yl] 2,2-dimethylpropanoate
SMILESCCCc1ccccc1[C@@H]1CCc2cc(OC(=O)C(C)(C)C)ccc2C1
InChIInChI=1S/C24H30O2/c1-5-8-17-9-6-7-10-22(17)20-12-11-19-16-21(14-13-18(19)15-20)26-23(25)24(2,3)4/h6-7,9-10,13-14,16,20H,5,8,11-12,15H2,1-4H3/t20-/m1/s1
InChIKeyNRHWNFMGAPSJQE-HXUWFJFHSA-N
XLogP5.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.50
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(6R)-6-(2-propylphenyl)-5,6,7,8-tetrahydronaphthalen-2-yl] 2,2-dimethylpropanoate?
The IUPAC name of [(6R)-6-(2-propylphenyl)-5,6,7,8-tetrahydronaphthalen-2-yl] 2,2-dimethylpropanoate (CID 58035887) is [(6R)-6-(2-propylphenyl)-5,6,7,8-tetrahydronaphthalen-2-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [(6R)-6-(2-propylphenyl)-5,6,7,8-tetrahydronaphthalen-2-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [(6R)-6-(2-propylphenyl)-5,6,7,8-tetrahydronaphthalen-2-yl] 2,2-dimethylpropanoate is CCCc1ccccc1[C@@H]1CCc2cc(OC(=O)C(C)(C)C)ccc2C1.
What is the InChIKey of [(6R)-6-(2-propylphenyl)-5,6,7,8-tetrahydronaphthalen-2-yl] 2,2-dimethylpropanoate?
The InChIKey is NRHWNFMGAPSJQE-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H30O2/c1-5-8-17-9-6-7-10-22(17)20-12-11-19-16-21(14-13-18(19)15-20)26-23(25)24(2,3)4/h6-7,9-10,13-14,16,20H,5,8,11-12,15H2,1-4H3/t20-/m1/s1.
What are the key properties of [(6R)-6-(2-propylphenyl)-5,6,7,8-tetrahydronaphthalen-2-yl] 2,2-dimethylpropanoate?
[(6R)-6-(2-propylphenyl)-5,6,7,8-tetrahydronaphthalen-2-yl] 2,2-dimethylpropanoate has a molecular weight of 350.50 g/mol, XLogP of 5.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(6R)-6-(2-propylphenyl)-5,6,7,8-tetrahydronaphthalen-2-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 58035887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).