7,7-dimethyl-1,4-dioxaspiro[4.5]decan-8-one

C10H16O3 — CID 11171389

IUPAC7,7-dimethyl-1,4-dioxaspiro[4.5]decan-8-one
SMILESCC1(C)CC2(CCC1=O)OCCO2
InChIInChI=1S/C10H16O3/c1-9(2)7-10(4-3-8(9)11)12-5-6-13-10/h3-7H2,1-2H3
InChIKeyDZIBLEREBJNQIF-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.51
Rot. Bonds

About 7,7-dimethyl-1,4-dioxaspiro[4.5]decan-8-one

7,7-dimethyl-1,4-dioxaspiro[4.5]decan-8-one (PubChem CID 11171389) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 7,7-dimethyl-1,4-dioxaspiro[4.5]decan-8-one.

Molecular Properties

Compound Name7,7-dimethyl-1,4-dioxaspiro[4.5]decan-8-one
PubChem CID11171389
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name7,7-dimethyl-1,4-dioxaspiro[4.5]decan-8-one
SMILESCC1(C)CC2(CCC1=O)OCCO2
InChIInChI=1S/C10H16O3/c1-9(2)7-10(4-3-8(9)11)12-5-6-13-10/h3-7H2,1-2H3
InChIKeyDZIBLEREBJNQIF-UHFFFAOYSA-N
XLogP1.51
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7,7-dimethyl-1,4-dioxaspiro[4.5]decan-8-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-1,4-dioxaspiro[4.5]decan-8-one?
The IUPAC name of 7,7-dimethyl-1,4-dioxaspiro[4.5]decan-8-one (CID 11171389) is 7,7-dimethyl-1,4-dioxaspiro[4.5]decan-8-one.
What is the SMILES notation for 7,7-dimethyl-1,4-dioxaspiro[4.5]decan-8-one?
The canonical SMILES for 7,7-dimethyl-1,4-dioxaspiro[4.5]decan-8-one is CC1(C)CC2(CCC1=O)OCCO2.
What is the InChIKey of 7,7-dimethyl-1,4-dioxaspiro[4.5]decan-8-one?
The InChIKey is DZIBLEREBJNQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-9(2)7-10(4-3-8(9)11)12-5-6-13-10/h3-7H2,1-2H3.
What are the key properties of 7,7-dimethyl-1,4-dioxaspiro[4.5]decan-8-one?
7,7-dimethyl-1,4-dioxaspiro[4.5]decan-8-one has a molecular weight of 184.23 g/mol, XLogP of 1.51, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-1,4-dioxaspiro[4.5]decan-8-one is sourced from PubChem (CID 11171389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).