5-methylspiro[3H-indene-2,4'-cyclohexane]-1,1'-dione

C15H16O2 — CID 21433686

IUPAC5-methylspiro[3H-indene-2,4'-cyclohexane]-1,1'-dione
SMILESCc1ccc2c(c1)CC1(CCC(=O)CC1)C2=O
InChIInChI=1S/C15H16O2/c1-10-2-3-13-11(8-10)9-15(14(13)17)6-4-12(16)5-7-15/h2-3,8H,4-7,9H2,1H3
InChIKeyCHIRHJCFOKQSCV-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.86
Rot. Bonds

About 5-methylspiro[3H-indene-2,4'-cyclohexane]-1,1'-dione

5-methylspiro[3H-indene-2,4'-cyclohexane]-1,1'-dione (PubChem CID 21433686) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is 5-methylspiro[3H-indene-2,4'-cyclohexane]-1,1'-dione.

Molecular Properties

Compound Name5-methylspiro[3H-indene-2,4'-cyclohexane]-1,1'-dione
PubChem CID21433686
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name5-methylspiro[3H-indene-2,4'-cyclohexane]-1,1'-dione
SMILESCc1ccc2c(c1)CC1(CCC(=O)CC1)C2=O
InChIInChI=1S/C15H16O2/c1-10-2-3-13-11(8-10)9-15(14(13)17)6-4-12(16)5-7-15/h2-3,8H,4-7,9H2,1H3
InChIKeyCHIRHJCFOKQSCV-UHFFFAOYSA-N
XLogP2.86
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methylspiro[3H-indene-2,4'-cyclohexane]-1,1'-dione?
The IUPAC name of 5-methylspiro[3H-indene-2,4'-cyclohexane]-1,1'-dione (CID 21433686) is 5-methylspiro[3H-indene-2,4'-cyclohexane]-1,1'-dione.
What is the SMILES notation for 5-methylspiro[3H-indene-2,4'-cyclohexane]-1,1'-dione?
The canonical SMILES for 5-methylspiro[3H-indene-2,4'-cyclohexane]-1,1'-dione is Cc1ccc2c(c1)CC1(CCC(=O)CC1)C2=O.
What is the InChIKey of 5-methylspiro[3H-indene-2,4'-cyclohexane]-1,1'-dione?
The InChIKey is CHIRHJCFOKQSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2/c1-10-2-3-13-11(8-10)9-15(14(13)17)6-4-12(16)5-7-15/h2-3,8H,4-7,9H2,1H3.
What are the key properties of 5-methylspiro[3H-indene-2,4'-cyclohexane]-1,1'-dione?
5-methylspiro[3H-indene-2,4'-cyclohexane]-1,1'-dione has a molecular weight of 228.29 g/mol, XLogP of 2.86, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylspiro[3H-indene-2,4'-cyclohexane]-1,1'-dione is sourced from PubChem (CID 21433686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).