7,7-dimethylspiro[3.4]octan-8-one

C10H16O — CID 45098314

IUPAC7,7-dimethylspiro[3.4]octan-8-one
SMILESCC1(C)CCC2(CCC2)C1=O
InChIInChI=1S/C10H16O/c1-9(2)6-7-10(8(9)11)4-3-5-10/h3-7H2,1-2H3
InChIKeyHSNBYJBIGSHJMD-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.55
Rot. Bonds

About 7,7-dimethylspiro[3.4]octan-8-one

7,7-dimethylspiro[3.4]octan-8-one (PubChem CID 45098314) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 7,7-dimethylspiro[3.4]octan-8-one.

Molecular Properties

Compound Name7,7-dimethylspiro[3.4]octan-8-one
PubChem CID45098314
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name7,7-dimethylspiro[3.4]octan-8-one
SMILESCC1(C)CCC2(CCC2)C1=O
InChIInChI=1S/C10H16O/c1-9(2)6-7-10(8(9)11)4-3-5-10/h3-7H2,1-2H3
InChIKeyHSNBYJBIGSHJMD-UHFFFAOYSA-N
XLogP2.55
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethylspiro[3.4]octan-8-one?
The IUPAC name of 7,7-dimethylspiro[3.4]octan-8-one (CID 45098314) is 7,7-dimethylspiro[3.4]octan-8-one.
What is the SMILES notation for 7,7-dimethylspiro[3.4]octan-8-one?
The canonical SMILES for 7,7-dimethylspiro[3.4]octan-8-one is CC1(C)CCC2(CCC2)C1=O.
What is the InChIKey of 7,7-dimethylspiro[3.4]octan-8-one?
The InChIKey is HSNBYJBIGSHJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-9(2)6-7-10(8(9)11)4-3-5-10/h3-7H2,1-2H3.
What are the key properties of 7,7-dimethylspiro[3.4]octan-8-one?
7,7-dimethylspiro[3.4]octan-8-one has a molecular weight of 152.24 g/mol, XLogP of 2.55, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethylspiro[3.4]octan-8-one is sourced from PubChem (CID 45098314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).