3',3'-dimethylspiro[1H-naphthalene-2,2'-cyclohexane]-1'-one

C17H20O — CID 46215753

IUPAC3',3'-dimethylspiro[1H-naphthalene-2,2'-cyclohexane]-1'-one
SMILESCC1(C)CCCC(=O)C12C=Cc1ccccc1C2
InChIInChI=1S/C17H20O/c1-16(2)10-5-8-15(18)17(16)11-9-13-6-3-4-7-14(13)12-17/h3-4,6-7,9,11H,5,8,10,12H2,1-2H3
InChIKeyDVRGIDBQOKYUAZ-UHFFFAOYSA-N
MW240.35 g/mol
LogP4.02
Rot. Bonds

About 3',3'-dimethylspiro[1H-naphthalene-2,2'-cyclohexane]-1'-one

3',3'-dimethylspiro[1H-naphthalene-2,2'-cyclohexane]-1'-one (PubChem CID 46215753) has the molecular formula C17H20O and a molecular weight of 240.35 g/mol. Its IUPAC name is 3',3'-dimethylspiro[1H-naphthalene-2,2'-cyclohexane]-1'-one.

Molecular Properties

Compound Name3',3'-dimethylspiro[1H-naphthalene-2,2'-cyclohexane]-1'-one
PubChem CID46215753
Molecular FormulaC17H20O
Molecular Weight240.35 g/mol
Exact Mass240.15
IUPAC Name3',3'-dimethylspiro[1H-naphthalene-2,2'-cyclohexane]-1'-one
SMILESCC1(C)CCCC(=O)C12C=Cc1ccccc1C2
InChIInChI=1S/C17H20O/c1-16(2)10-5-8-15(18)17(16)11-9-13-6-3-4-7-14(13)12-17/h3-4,6-7,9,11H,5,8,10,12H2,1-2H3
InChIKeyDVRGIDBQOKYUAZ-UHFFFAOYSA-N
XLogP4.02
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1H-naphthalene-2,2-diol
CID 22565012
2-(2-amino-1H-naphthalen-2-yl)acetic acid
CID 66609236
2-amino-1H-naphthalene-2-thiol
CID 150575207
(2Z)-tricyclo[11.4.0.04,9]heptadeca-1(17),2,4,6,8,13,15-heptaene
CID 145199366
5',5'-dimethylspiro[2,4-dihydro-1H-naphthalene-3,4'-pyrrolidine]-2'-one
CID 66108929
(2S)-2-[hydroxy(phenyl)methyl]-2-methylcyclopentan-1-one
CID 101389866
(3R)-3-methyl-3-phenylcyclohexan-1-one
CID 11506594
(2-methoxy-1H-naphthalen-2-yl)boronic acid
CID 154244823
4a-methyl-3,4-dihydro-2H-thioxanthen-1-one
CID 86252157
13,13-dimethyl-2-azatricyclo[7.5.1.05,15]pentadeca-1,3,5(15),6,8-pentaene
CID 135201650
1-(1-hydroxy-2,2-dimethylcyclohexyl)-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 79842173
ethene;spiro[1,3-dihydroindene-2,4'-cyclohexane]-1'-one
CID 21433521

Frequently Asked Questions

What is the IUPAC name of 3',3'-dimethylspiro[1H-naphthalene-2,2'-cyclohexane]-1'-one?
The IUPAC name of 3',3'-dimethylspiro[1H-naphthalene-2,2'-cyclohexane]-1'-one (CID 46215753) is 3',3'-dimethylspiro[1H-naphthalene-2,2'-cyclohexane]-1'-one.
What is the SMILES notation for 3',3'-dimethylspiro[1H-naphthalene-2,2'-cyclohexane]-1'-one?
The canonical SMILES for 3',3'-dimethylspiro[1H-naphthalene-2,2'-cyclohexane]-1'-one is CC1(C)CCCC(=O)C12C=Cc1ccccc1C2.
What is the InChIKey of 3',3'-dimethylspiro[1H-naphthalene-2,2'-cyclohexane]-1'-one?
The InChIKey is DVRGIDBQOKYUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O/c1-16(2)10-5-8-15(18)17(16)11-9-13-6-3-4-7-14(13)12-17/h3-4,6-7,9,11H,5,8,10,12H2,1-2H3.
What are the key properties of 3',3'-dimethylspiro[1H-naphthalene-2,2'-cyclohexane]-1'-one?
3',3'-dimethylspiro[1H-naphthalene-2,2'-cyclohexane]-1'-one has a molecular weight of 240.35 g/mol, XLogP of 4.02, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3',3'-dimethylspiro[1H-naphthalene-2,2'-cyclohexane]-1'-one is sourced from PubChem (CID 46215753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).