2,2-dimethyl-1-[6-[(2-methylpropan-2-yl)oxy]-8,8a-dihydronaphthalen-2-yl]propan-1-one

C19H26O2 — CID 143983135

IUPAC2,2-dimethyl-1-[6-[(2-methylpropan-2-yl)oxy]-8,8a-dihydronaphthalen-2-yl]propan-1-one
SMILESCC(C)(C)OC1=CCC2C=C(C(=O)C(C)(C)C)C=CC2=C1
InChIInChI=1S/C19H26O2/c1-18(2,3)17(20)15-8-7-14-12-16(21-19(4,5)6)10-9-13(14)11-15/h7-8,10-13H,9H2,1-6H3
InChIKeyBVINOOTUOYILTR-UHFFFAOYSA-N
MW286.42 g/mol
LogP4.74
Rot. Bonds2

About 2,2-dimethyl-1-[6-[(2-methylpropan-2-yl)oxy]-8,8a-dihydronaphthalen-2-yl]propan-1-one

2,2-dimethyl-1-[6-[(2-methylpropan-2-yl)oxy]-8,8a-dihydronaphthalen-2-yl]propan-1-one (PubChem CID 143983135) has the molecular formula C19H26O2 and a molecular weight of 286.42 g/mol. Its IUPAC name is 2,2-dimethyl-1-[6-[(2-methylpropan-2-yl)oxy]-8,8a-dihydronaphthalen-2-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[6-[(2-methylpropan-2-yl)oxy]-8,8a-dihydronaphthalen-2-yl]propan-1-one
PubChem CID143983135
Molecular FormulaC19H26O2
Molecular Weight286.42 g/mol
Exact Mass286.19
IUPAC Name2,2-dimethyl-1-[6-[(2-methylpropan-2-yl)oxy]-8,8a-dihydronaphthalen-2-yl]propan-1-one
SMILESCC(C)(C)OC1=CCC2C=C(C(=O)C(C)(C)C)C=CC2=C1
InChIInChI=1S/C19H26O2/c1-18(2,3)17(20)15-8-7-14-12-16(21-19(4,5)6)10-9-13(14)11-15/h7-8,10-13H,9H2,1-6H3
InChIKeyBVINOOTUOYILTR-UHFFFAOYSA-N
XLogP4.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[6-[(2-methylpropan-2-yl)oxy]-8,8a-dihydronaphthalen-2-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[6-[(2-methylpropan-2-yl)oxy]-8,8a-dihydronaphthalen-2-yl]propan-1-one (CID 143983135) is 2,2-dimethyl-1-[6-[(2-methylpropan-2-yl)oxy]-8,8a-dihydronaphthalen-2-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[6-[(2-methylpropan-2-yl)oxy]-8,8a-dihydronaphthalen-2-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[6-[(2-methylpropan-2-yl)oxy]-8,8a-dihydronaphthalen-2-yl]propan-1-one is CC(C)(C)OC1=CCC2C=C(C(=O)C(C)(C)C)C=CC2=C1.
What is the InChIKey of 2,2-dimethyl-1-[6-[(2-methylpropan-2-yl)oxy]-8,8a-dihydronaphthalen-2-yl]propan-1-one?
The InChIKey is BVINOOTUOYILTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O2/c1-18(2,3)17(20)15-8-7-14-12-16(21-19(4,5)6)10-9-13(14)11-15/h7-8,10-13H,9H2,1-6H3.
What are the key properties of 2,2-dimethyl-1-[6-[(2-methylpropan-2-yl)oxy]-8,8a-dihydronaphthalen-2-yl]propan-1-one?
2,2-dimethyl-1-[6-[(2-methylpropan-2-yl)oxy]-8,8a-dihydronaphthalen-2-yl]propan-1-one has a molecular weight of 286.42 g/mol, XLogP of 4.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[6-[(2-methylpropan-2-yl)oxy]-8,8a-dihydronaphthalen-2-yl]propan-1-one is sourced from PubChem (CID 143983135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).