(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl) 2,2-dimethylbutanoate

C17H24O3 — CID 58030996

IUPAC(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl) 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OC1CCCc2cc(OC)ccc21
InChIInChI=1S/C17H24O3/c1-5-17(2,3)16(18)20-15-8-6-7-12-11-13(19-4)9-10-14(12)15/h9-11,15H,5-8H2,1-4H3
InChIKeyYMJRTUZHURNNBV-UHFFFAOYSA-N
MW276.38 g/mol
LogP4.05
Rot. Bonds4

About (6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl) 2,2-dimethylbutanoate

(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl) 2,2-dimethylbutanoate (PubChem CID 58030996) has the molecular formula C17H24O3 and a molecular weight of 276.38 g/mol. Its IUPAC name is (6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl) 2,2-dimethylbutanoate.

Molecular Properties

Compound Name(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl) 2,2-dimethylbutanoate
PubChem CID58030996
Molecular FormulaC17H24O3
Molecular Weight276.38 g/mol
Exact Mass276.17
IUPAC Name(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl) 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OC1CCCc2cc(OC)ccc21
InChIInChI=1S/C17H24O3/c1-5-17(2,3)16(18)20-15-8-6-7-12-11-13(19-4)9-10-14(12)15/h9-11,15H,5-8H2,1-4H3
InChIKeyYMJRTUZHURNNBV-UHFFFAOYSA-N
XLogP4.05
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl) 2,2-dimethylbutanoate?
The IUPAC name of (6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl) 2,2-dimethylbutanoate (CID 58030996) is (6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl) 2,2-dimethylbutanoate.
What is the SMILES notation for (6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl) 2,2-dimethylbutanoate?
The canonical SMILES for (6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl) 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OC1CCCc2cc(OC)ccc21.
What is the InChIKey of (6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl) 2,2-dimethylbutanoate?
The InChIKey is YMJRTUZHURNNBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O3/c1-5-17(2,3)16(18)20-15-8-6-7-12-11-13(19-4)9-10-14(12)15/h9-11,15H,5-8H2,1-4H3.
What are the key properties of (6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl) 2,2-dimethylbutanoate?
(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl) 2,2-dimethylbutanoate has a molecular weight of 276.38 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl) 2,2-dimethylbutanoate is sourced from PubChem (CID 58030996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).