2,2-dimethyl-3-(8-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid

C16H22O2 — CID 117368524

IUPAC2,2-dimethyl-3-(8-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid
SMILESCC1CCCc2ccc(CC(C)(C)C(=O)O)cc21
InChIInChI=1S/C16H22O2/c1-11-5-4-6-13-8-7-12(9-14(11)13)10-16(2,3)15(17)18/h7-9,11H,4-6,10H2,1-3H3,(H,17,18)
InChIKeyWWHGZCQCCIQDCY-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.78
Rot. Bonds3

About 2,2-dimethyl-3-(8-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid

2,2-dimethyl-3-(8-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid (PubChem CID 117368524) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is 2,2-dimethyl-3-(8-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-(8-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid
PubChem CID117368524
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name2,2-dimethyl-3-(8-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid
SMILESCC1CCCc2ccc(CC(C)(C)C(=O)O)cc21
InChIInChI=1S/C16H22O2/c1-11-5-4-6-13-8-7-12(9-14(11)13)10-16(2,3)15(17)18/h7-9,11H,4-6,10H2,1-3H3,(H,17,18)
InChIKeyWWHGZCQCCIQDCY-UHFFFAOYSA-N
XLogP3.78
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(8-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid?
The IUPAC name of 2,2-dimethyl-3-(8-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid (CID 117368524) is 2,2-dimethyl-3-(8-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-(8-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid?
The canonical SMILES for 2,2-dimethyl-3-(8-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid is CC1CCCc2ccc(CC(C)(C)C(=O)O)cc21.
What is the InChIKey of 2,2-dimethyl-3-(8-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid?
The InChIKey is WWHGZCQCCIQDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2/c1-11-5-4-6-13-8-7-12(9-14(11)13)10-16(2,3)15(17)18/h7-9,11H,4-6,10H2,1-3H3,(H,17,18).
What are the key properties of 2,2-dimethyl-3-(8-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid?
2,2-dimethyl-3-(8-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid has a molecular weight of 246.35 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(8-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid is sourced from PubChem (CID 117368524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).