2',3'-dimethylspiro[cyclohexane-3,1'-indene]-1-one

C16H18O — CID 10799279

IUPAC2',3'-dimethylspiro[cyclohexane-3,1'-indene]-1-one
SMILESCC1=C(C)C2(CCCC(=O)C2)c2ccccc21
InChIInChI=1S/C16H18O/c1-11-12(2)16(9-5-6-13(17)10-16)15-8-4-3-7-14(11)15/h3-4,7-8H,5-6,9-10H2,1-2H3
InChIKeyWXWPJVMRKNLECC-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.87
Rot. Bonds

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

2',3'-dimethylspiro[cyclohexane-3,1'-indene]-1-one (PubChem CID 10799279) has the molecular formula C16H18O and a molecular weight of 226.32 g/mol. Its IUPAC name is 2',3'-dimethylspiro[cyclohexane-3,1'-indene]-1-one.

Molecular Properties

Compound Name2',3'-dimethylspiro[cyclohexane-3,1'-indene]-1-one
PubChem CID10799279
Molecular FormulaC16H18O
Molecular Weight226.32 g/mol
Exact Mass226.14
IUPAC Name2',3'-dimethylspiro[cyclohexane-3,1'-indene]-1-one
SMILESCC1=C(C)C2(CCCC(=O)C2)c2ccccc21
InChIInChI=1S/C16H18O/c1-11-12(2)16(9-5-6-13(17)10-16)15-8-4-3-7-14(11)15/h3-4,7-8H,5-6,9-10H2,1-2H3
InChIKeyWXWPJVMRKNLECC-UHFFFAOYSA-N
XLogP3.87
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3R)-2',3'-difluorospiro[cyclohexane-3,1'-indene]-1-one
CID 164853699
ethane;spiro[cyclopentane-1,4'-isochromene]-1',3'-dione
CID 143921427
(3R)-3-methyl-3-phenylcyclohexan-1-one
CID 11506594
3,3-bis(2-chlorophenyl)cyclopentan-1-one
CID 142095772
(3S)-3-[4-(dimethylamino)phenyl]-3-(4-methylphenyl)cyclohexan-1-one
CID 134963193
3'-(4-methylphenyl)spiro[cyclopentane-1,9'-fluorene]
CID 58389877
ethane;1,1,2,3-tetramethylindene
CID 90797870
methane;1'-methylspiro[cyclopentane-1,9'-fluorene]
CID 144945934
(3S)-3-(4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]cyclohexan-1-one
CID 134963192
3-ethyl-3-phenylcyclohexan-1-one
CID 135001178
2-(1',3'-dioxospiro[cyclopentane-1,4'-isoquinoline]-2'-yl)acetonitrile
CID 22763131
10-methylidenespiro[anthracene-9,1'-cyclopropane]
CID 12648503

Frequently Asked Questions

What is the IUPAC name of 2',3'-dimethylspiro[cyclohexane-3,1'-indene]-1-one?
The IUPAC name of 2',3'-dimethylspiro[cyclohexane-3,1'-indene]-1-one (CID 10799279) is 2',3'-dimethylspiro[cyclohexane-3,1'-indene]-1-one.
What is the SMILES notation for 2',3'-dimethylspiro[cyclohexane-3,1'-indene]-1-one?
The canonical SMILES for 2',3'-dimethylspiro[cyclohexane-3,1'-indene]-1-one is CC1=C(C)C2(CCCC(=O)C2)c2ccccc21.
What is the InChIKey of 2',3'-dimethylspiro[cyclohexane-3,1'-indene]-1-one?
The InChIKey is WXWPJVMRKNLECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O/c1-11-12(2)16(9-5-6-13(17)10-16)15-8-4-3-7-14(11)15/h3-4,7-8H,5-6,9-10H2,1-2H3.
What are the key properties of 2',3'-dimethylspiro[cyclohexane-3,1'-indene]-1-one?
2',3'-dimethylspiro[cyclohexane-3,1'-indene]-1-one has a molecular weight of 226.32 g/mol, XLogP of 3.87, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2',3'-dimethylspiro[cyclohexane-3,1'-indene]-1-one is sourced from PubChem (CID 10799279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).