2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropane-1-carboxylic acid

C18H24O2 — CID 18349867

IUPAC2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropane-1-carboxylic acid
SMILESCC1(C)CCC(C)(C)c2cc(C3CC3C(=O)O)ccc21
InChIInChI=1S/C18H24O2/c1-17(2)7-8-18(3,4)15-9-11(5-6-14(15)17)12-10-13(12)16(19)20/h5-6,9,12-13H,7-8,10H2,1-4H3,(H,19,20)
InChIKeyQPUXPTXNGYJIBR-UHFFFAOYSA-N
MW272.39 g/mol
LogP4.22
Rot. Bonds2

About 2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropane-1-carboxylic acid

2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropane-1-carboxylic acid (PubChem CID 18349867) has the molecular formula C18H24O2 and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropane-1-carboxylic acid
PubChem CID18349867
Molecular FormulaC18H24O2
Molecular Weight272.39 g/mol
Exact Mass272.18
IUPAC Name2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropane-1-carboxylic acid
SMILESCC1(C)CCC(C)(C)c2cc(C3CC3C(=O)O)ccc21
InChIInChI=1S/C18H24O2/c1-17(2)7-8-18(3,4)15-9-11(5-6-14(15)17)12-10-13(12)16(19)20/h5-6,9,12-13H,7-8,10H2,1-4H3,(H,19,20)
InChIKeyQPUXPTXNGYJIBR-UHFFFAOYSA-N
XLogP4.22
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropane-1-carboxylic acid (CID 18349867) is 2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropane-1-carboxylic acid is CC1(C)CCC(C)(C)c2cc(C3CC3C(=O)O)ccc21.
What is the InChIKey of 2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropane-1-carboxylic acid?
The InChIKey is QPUXPTXNGYJIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O2/c1-17(2)7-8-18(3,4)15-9-11(5-6-14(15)17)12-10-13(12)16(19)20/h5-6,9,12-13H,7-8,10H2,1-4H3,(H,19,20).
What are the key properties of 2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropane-1-carboxylic acid?
2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropane-1-carboxylic acid has a molecular weight of 272.39 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 18349867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).