2-[(2R)-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propan-2-yl acetate

C17H24O2 — CID 15601432

IUPAC2-[(2R)-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propan-2-yl acetate
SMILESCC(=O)OC(C)(C)[C@@H]1CCc2c(C)ccc(C)c2C1
InChIInChI=1S/C17H24O2/c1-11-6-7-12(2)16-10-14(8-9-15(11)16)17(4,5)19-13(3)18/h6-7,14H,8-10H2,1-5H3/t14-/m1/s1
InChIKeyJBIUFFGIDNZYFQ-CQSZACIVSA-N
MW260.38 g/mol
LogP3.75
Rot. Bonds2

About 2-[(2R)-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propan-2-yl acetate

2-[(2R)-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propan-2-yl acetate (PubChem CID 15601432) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-[(2R)-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propan-2-yl acetate.

Molecular Properties

Compound Name2-[(2R)-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propan-2-yl acetate
PubChem CID15601432
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name2-[(2R)-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propan-2-yl acetate
SMILESCC(=O)OC(C)(C)[C@@H]1CCc2c(C)ccc(C)c2C1
InChIInChI=1S/C17H24O2/c1-11-6-7-12(2)16-10-14(8-9-15(11)16)17(4,5)19-13(3)18/h6-7,14H,8-10H2,1-5H3/t14-/m1/s1
InChIKeyJBIUFFGIDNZYFQ-CQSZACIVSA-N
XLogP3.75
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propan-2-yl acetate?
The IUPAC name of 2-[(2R)-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propan-2-yl acetate (CID 15601432) is 2-[(2R)-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propan-2-yl acetate.
What is the SMILES notation for 2-[(2R)-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propan-2-yl acetate?
The canonical SMILES for 2-[(2R)-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propan-2-yl acetate is CC(=O)OC(C)(C)[C@@H]1CCc2c(C)ccc(C)c2C1.
What is the InChIKey of 2-[(2R)-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propan-2-yl acetate?
The InChIKey is JBIUFFGIDNZYFQ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H24O2/c1-11-6-7-12(2)16-10-14(8-9-15(11)16)17(4,5)19-13(3)18/h6-7,14H,8-10H2,1-5H3/t14-/m1/s1.
What are the key properties of 2-[(2R)-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propan-2-yl acetate?
2-[(2R)-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propan-2-yl acetate has a molecular weight of 260.38 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propan-2-yl acetate is sourced from PubChem (CID 15601432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).