5-methylspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-carboxylic acid

C17H22O2 — CID 115057106

IUPAC5-methylspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-carboxylic acid
SMILESCc1cccc2c1CCC(C(=O)O)C21CCCCC1
InChIInChI=1S/C17H22O2/c1-12-6-5-7-14-13(12)8-9-15(16(18)19)17(14)10-3-2-4-11-17/h5-7,15H,2-4,8-11H2,1H3,(H,18,19)
InChIKeyURCVDPYNRFRTEG-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.84
Rot. Bonds1

About 5-methylspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-carboxylic acid

5-methylspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-carboxylic acid (PubChem CID 115057106) has the molecular formula C17H22O2 and a molecular weight of 258.36 g/mol. Its IUPAC name is 5-methylspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-carboxylic acid.

Molecular Properties

Compound Name5-methylspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-carboxylic acid
PubChem CID115057106
Molecular FormulaC17H22O2
Molecular Weight258.36 g/mol
Exact Mass258.16
IUPAC Name5-methylspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-carboxylic acid
SMILESCc1cccc2c1CCC(C(=O)O)C21CCCCC1
InChIInChI=1S/C17H22O2/c1-12-6-5-7-14-13(12)8-9-15(16(18)19)17(14)10-3-2-4-11-17/h5-7,15H,2-4,8-11H2,1H3,(H,18,19)
InChIKeyURCVDPYNRFRTEG-UHFFFAOYSA-N
XLogP3.84
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 ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-methylspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-carboxylic acid with MolForge

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Related Compounds

8-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid
CID 105469834
5-bromospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopentane]-2-carboxylic acid
CID 115057136
5-methoxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopentane]-2-carboxylic acid
CID 115057152
5-hydroxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopropane]-2-carboxylic acid
CID 115057144
1-hydroxy-5-methyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 83908872
6-bromospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopentane]-2-carboxylic acid
CID 115057075
8-methylspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylic acid
CID 105472206
1-(hydroxymethyl)-5-methyl-3,4-dihydro-2H-naphthalen-1-ol
CID 105446199
5-methoxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-ol
CID 115010876
5-fluorospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-ol
CID 115010849
7-chlorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylic acid
CID 105479978
cis-(1S,3R)-3-[[1-(2-methylphenyl)cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 120676617

Frequently Asked Questions

What is the IUPAC name of 5-methylspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-carboxylic acid?
The IUPAC name of 5-methylspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-carboxylic acid (CID 115057106) is 5-methylspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-carboxylic acid.
What is the SMILES notation for 5-methylspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-carboxylic acid?
The canonical SMILES for 5-methylspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-carboxylic acid is Cc1cccc2c1CCC(C(=O)O)C21CCCCC1.
What is the InChIKey of 5-methylspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-carboxylic acid?
The InChIKey is URCVDPYNRFRTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O2/c1-12-6-5-7-14-13(12)8-9-15(16(18)19)17(14)10-3-2-4-11-17/h5-7,15H,2-4,8-11H2,1H3,(H,18,19).
What are the key properties of 5-methylspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-carboxylic acid?
5-methylspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-carboxylic acid has a molecular weight of 258.36 g/mol, XLogP of 3.84, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-carboxylic acid is sourced from PubChem (CID 115057106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).