4,4-dimethylspiro[5.5]undecane-2,10-dione

C13H20O2 — CID 10798425

IUPAC4,4-dimethylspiro[5.5]undecane-2,10-dione
SMILESCC1(C)CC(=O)CC2(CCCC(=O)C2)C1
InChIInChI=1S/C13H20O2/c1-12(2)6-11(15)8-13(9-12)5-3-4-10(14)7-13/h3-9H2,1-2H3
InChIKeyNHLXVFPMASKMGP-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.90
Rot. Bonds

About 4,4-dimethylspiro[5.5]undecane-2,10-dione

4,4-dimethylspiro[5.5]undecane-2,10-dione (PubChem CID 10798425) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 4,4-dimethylspiro[5.5]undecane-2,10-dione.

Molecular Properties

Compound Name4,4-dimethylspiro[5.5]undecane-2,10-dione
PubChem CID10798425
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name4,4-dimethylspiro[5.5]undecane-2,10-dione
SMILESCC1(C)CC(=O)CC2(CCCC(=O)C2)C1
InChIInChI=1S/C13H20O2/c1-12(2)6-11(15)8-13(9-12)5-3-4-10(14)7-13/h3-9H2,1-2H3
InChIKeyNHLXVFPMASKMGP-UHFFFAOYSA-N
XLogP2.90
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-dimethylcycloheptan-1-one
CID 12702041
3-azaspiro[5.5]undecan-10-one
CID 59929925
spiro[4.6]undecan-10-one
CID 15638085
3-methyl-3-sulfanylcyclohexan-1-one
CID 86138947
spiro[2.7]decan-9-one
CID 130028945
dispiro[3.1.36.14]decan-8-one
CID 155821290
(3R)-3-iodo-3-methylcyclohexan-1-one
CID 165020728
4-(hydroxymethyl)-4,10,10-trimethylspiro[5.5]undecane-2,8-dione
CID 71399845
3-tert-butyl-3-azaspiro[5.5]undecan-10-one
CID 160927824
3,3,5-trimethyl-5-sulfanylcyclohexan-1-one
CID 59102112
(3R)-3-methyl-3-propylcyclohexan-1-one
CID 131183126
1-methyl-3-oxocyclohexane-1-carbaldehyde
CID 13394827

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethylspiro[5.5]undecane-2,10-dione?
The IUPAC name of 4,4-dimethylspiro[5.5]undecane-2,10-dione (CID 10798425) is 4,4-dimethylspiro[5.5]undecane-2,10-dione.
What is the SMILES notation for 4,4-dimethylspiro[5.5]undecane-2,10-dione?
The canonical SMILES for 4,4-dimethylspiro[5.5]undecane-2,10-dione is CC1(C)CC(=O)CC2(CCCC(=O)C2)C1.
What is the InChIKey of 4,4-dimethylspiro[5.5]undecane-2,10-dione?
The InChIKey is NHLXVFPMASKMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-12(2)6-11(15)8-13(9-12)5-3-4-10(14)7-13/h3-9H2,1-2H3.
What are the key properties of 4,4-dimethylspiro[5.5]undecane-2,10-dione?
4,4-dimethylspiro[5.5]undecane-2,10-dione has a molecular weight of 208.30 g/mol, XLogP of 2.90, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethylspiro[5.5]undecane-2,10-dione is sourced from PubChem (CID 10798425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).