1,1,2',2'-tetramethylspiro[2,3-dihydronaphthalene-4,3'-cyclopropane]-1'-carboxylic acid

C17H22O2 — CID 114229314

IUPAC1,1,2',2'-tetramethylspiro[2,3-dihydronaphthalene-4,3'-cyclopropane]-1'-carboxylic acid
SMILESCC1(C)CCC2(c3ccccc31)C(C(=O)O)C2(C)C
InChIInChI=1S/C17H22O2/c1-15(2)9-10-17(12-8-6-5-7-11(12)15)13(14(18)19)16(17,3)4/h5-8,13H,9-10H2,1-4H3,(H,18,19)
InChIKeyKIKKSPDHIHFCKY-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.74
Rot. Bonds1

About 1,1,2',2'-tetramethylspiro[2,3-dihydronaphthalene-4,3'-cyclopropane]-1'-carboxylic acid

1,1,2',2'-tetramethylspiro[2,3-dihydronaphthalene-4,3'-cyclopropane]-1'-carboxylic acid (PubChem CID 114229314) has the molecular formula C17H22O2 and a molecular weight of 258.36 g/mol. Its IUPAC name is 1,1,2',2'-tetramethylspiro[2,3-dihydronaphthalene-4,3'-cyclopropane]-1'-carboxylic acid.

Molecular Properties

Compound Name1,1,2',2'-tetramethylspiro[2,3-dihydronaphthalene-4,3'-cyclopropane]-1'-carboxylic acid
PubChem CID114229314
Molecular FormulaC17H22O2
Molecular Weight258.36 g/mol
Exact Mass258.16
IUPAC Name1,1,2',2'-tetramethylspiro[2,3-dihydronaphthalene-4,3'-cyclopropane]-1'-carboxylic acid
SMILESCC1(C)CCC2(c3ccccc31)C(C(=O)O)C2(C)C
InChIInChI=1S/C17H22O2/c1-15(2)9-10-17(12-8-6-5-7-11(12)15)13(14(18)19)16(17,3)4/h5-8,13H,9-10H2,1-4H3,(H,18,19)
InChIKeyKIKKSPDHIHFCKY-UHFFFAOYSA-N
XLogP3.74
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

benzene;1,1,4,4-tetramethyl-2,3-dihydronaphthalene
CID 173031980
1-(cyclopropylamino)-4,4-dimethyl-2,3-dihydronaphthalene-1-carboxylic acid
CID 43754606
1-acetamido-4,4-dimethyl-2,3-dihydronaphthalene-1-carboxylic acid
CID 55232986
1',1'-dimethylspiro[1,3-thiazinane-2,4'-2,3-dihydronaphthalene]-4-carboxylic acid
CID 80500616
5,5,9,9-tetramethyl-7,8-dihydro-6H-benzo[7]annulene
CID 125494585
1-(diethylamino)-4,4-dimethyl-2,3-dihydronaphthalene-1-carboxylic acid
CID 43803732
propan-2-yl 2',2'-dimethylspiro[1,2-dihydroindene-3,3'-cyclopropane]-1'-carboxylate
CID 90361309
2,2,3-trimethyl-3-naphthalen-1-ylcyclopropane-1-carboxylic acid
CID 114229341
2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropane-1-carboxylic acid
CID 18349867
1,3,3-trimethyl-2H-inden-1-ol
CID 121006931
4,4-dimethyl-2,3-dihydrothiochromene-2-carboxylic acid
CID 165485156
(1R)-4,4-dimethyl-2,3-dihydro-1H-isoquinoline-1-carboxylic acid
CID 96722457

Frequently Asked Questions

What is the IUPAC name of 1,1,2',2'-tetramethylspiro[2,3-dihydronaphthalene-4,3'-cyclopropane]-1'-carboxylic acid?
The IUPAC name of 1,1,2',2'-tetramethylspiro[2,3-dihydronaphthalene-4,3'-cyclopropane]-1'-carboxylic acid (CID 114229314) is 1,1,2',2'-tetramethylspiro[2,3-dihydronaphthalene-4,3'-cyclopropane]-1'-carboxylic acid.
What is the SMILES notation for 1,1,2',2'-tetramethylspiro[2,3-dihydronaphthalene-4,3'-cyclopropane]-1'-carboxylic acid?
The canonical SMILES for 1,1,2',2'-tetramethylspiro[2,3-dihydronaphthalene-4,3'-cyclopropane]-1'-carboxylic acid is CC1(C)CCC2(c3ccccc31)C(C(=O)O)C2(C)C.
What is the InChIKey of 1,1,2',2'-tetramethylspiro[2,3-dihydronaphthalene-4,3'-cyclopropane]-1'-carboxylic acid?
The InChIKey is KIKKSPDHIHFCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O2/c1-15(2)9-10-17(12-8-6-5-7-11(12)15)13(14(18)19)16(17,3)4/h5-8,13H,9-10H2,1-4H3,(H,18,19).
What are the key properties of 1,1,2',2'-tetramethylspiro[2,3-dihydronaphthalene-4,3'-cyclopropane]-1'-carboxylic acid?
1,1,2',2'-tetramethylspiro[2,3-dihydronaphthalene-4,3'-cyclopropane]-1'-carboxylic acid has a molecular weight of 258.36 g/mol, XLogP of 3.74, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2',2'-tetramethylspiro[2,3-dihydronaphthalene-4,3'-cyclopropane]-1'-carboxylic acid is sourced from PubChem (CID 114229314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).