1,2,3,4-tetrahydronaphthalen-2-yl 2,2-dimethylpropanoate

C15H20O2 — CID 126760691

IUPAC1,2,3,4-tetrahydronaphthalen-2-yl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OC1CCc2ccccc2C1
InChIInChI=1S/C15H20O2/c1-15(2,3)14(16)17-13-9-8-11-6-4-5-7-12(11)10-13/h4-7,13H,8-10H2,1-3H3
InChIKeyJWTXFKXSBPENNW-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.13
Rot. Bonds1

About 1,2,3,4-tetrahydronaphthalen-2-yl 2,2-dimethylpropanoate

1,2,3,4-tetrahydronaphthalen-2-yl 2,2-dimethylpropanoate (PubChem CID 126760691) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 1,2,3,4-tetrahydronaphthalen-2-yl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name1,2,3,4-tetrahydronaphthalen-2-yl 2,2-dimethylpropanoate
PubChem CID126760691
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name1,2,3,4-tetrahydronaphthalen-2-yl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OC1CCc2ccccc2C1
InChIInChI=1S/C15H20O2/c1-15(2,3)14(16)17-13-9-8-11-6-4-5-7-12(11)10-13/h4-7,13H,8-10H2,1-3H3
InChIKeyJWTXFKXSBPENNW-UHFFFAOYSA-N
XLogP3.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydronaphthalen-2-yl 2,2-dimethylpropanoate?
The IUPAC name of 1,2,3,4-tetrahydronaphthalen-2-yl 2,2-dimethylpropanoate (CID 126760691) is 1,2,3,4-tetrahydronaphthalen-2-yl 2,2-dimethylpropanoate.
What is the SMILES notation for 1,2,3,4-tetrahydronaphthalen-2-yl 2,2-dimethylpropanoate?
The canonical SMILES for 1,2,3,4-tetrahydronaphthalen-2-yl 2,2-dimethylpropanoate is CC(C)(C)C(=O)OC1CCc2ccccc2C1.
What is the InChIKey of 1,2,3,4-tetrahydronaphthalen-2-yl 2,2-dimethylpropanoate?
The InChIKey is JWTXFKXSBPENNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-15(2,3)14(16)17-13-9-8-11-6-4-5-7-12(11)10-13/h4-7,13H,8-10H2,1-3H3.
What are the key properties of 1,2,3,4-tetrahydronaphthalen-2-yl 2,2-dimethylpropanoate?
1,2,3,4-tetrahydronaphthalen-2-yl 2,2-dimethylpropanoate has a molecular weight of 232.32 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydronaphthalen-2-yl 2,2-dimethylpropanoate is sourced from PubChem (CID 126760691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).