6,6-dimethylspiro[2.3]hexan-5-one

C8H12O — CID 178200675

IUPAC6,6-dimethylspiro[2.3]hexan-5-one
SMILESCC1(C)C(=O)CC12CC2
InChIInChI=1S/C8H12O/c1-7(2)6(9)5-8(7)3-4-8/h3-5H2,1-2H3
InChIKeyNLWHJRUSQLVRIF-UHFFFAOYSA-N
MW124.18 g/mol
LogP1.77
Rot. Bonds

About 6,6-dimethylspiro[2.3]hexan-5-one

6,6-dimethylspiro[2.3]hexan-5-one (PubChem CID 178200675) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is 6,6-dimethylspiro[2.3]hexan-5-one.

Molecular Properties

Compound Name6,6-dimethylspiro[2.3]hexan-5-one
PubChem CID178200675
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name6,6-dimethylspiro[2.3]hexan-5-one
SMILESCC1(C)C(=O)CC12CC2
InChIInChI=1S/C8H12O/c1-7(2)6(9)5-8(7)3-4-8/h3-5H2,1-2H3
InChIKeyNLWHJRUSQLVRIF-UHFFFAOYSA-N
XLogP1.77
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3S)-3-methoxy-2,2,3-trimethylcyclobutan-1-one
CID 96581858
2,2,5,5-tetramethylcyclohexane-1,4-dione
CID 13390715
tricyclo[3.3.2.01,5]decane-3,7-dione
CID 130831623
tricyclo[3.3.2.01,5]decan-9-one
CID 12564319
1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-one
CID 13449492
(3aR,6aR)-3a,6a-dimethyl-2,3,5,6-tetrahydropentalene-1,4-dione
CID 2802599
trans-(2S,5S)-2,5-dihydroxy-2,5-dimethylcyclohexane-1,4-dione
CID 97161679
1,5-dimethylbicyclo[3.2.0]heptan-6-one
CID 71351670
1,1,8,8-tetramethyl-2-azaspiro[4.5]decan-3-one
CID 66108931
2-methoxy-2-methylcyclopropan-1-one
CID 57185083
2,2-dimethylspiro[2.4]heptan-1-one
CID 130031044
6,6,9,9-tetramethyl-1,4-dioxaspiro[4.5]decan-7-one
CID 146082096

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethylspiro[2.3]hexan-5-one?
The IUPAC name of 6,6-dimethylspiro[2.3]hexan-5-one (CID 178200675) is 6,6-dimethylspiro[2.3]hexan-5-one.
What is the SMILES notation for 6,6-dimethylspiro[2.3]hexan-5-one?
The canonical SMILES for 6,6-dimethylspiro[2.3]hexan-5-one is CC1(C)C(=O)CC12CC2.
What is the InChIKey of 6,6-dimethylspiro[2.3]hexan-5-one?
The InChIKey is NLWHJRUSQLVRIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O/c1-7(2)6(9)5-8(7)3-4-8/h3-5H2,1-2H3.
What are the key properties of 6,6-dimethylspiro[2.3]hexan-5-one?
6,6-dimethylspiro[2.3]hexan-5-one has a molecular weight of 124.18 g/mol, XLogP of 1.77, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethylspiro[2.3]hexan-5-one is sourced from PubChem (CID 178200675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).