9-methyl-1,4-dioxaspiro[4.6]undecan-8-one

C10H16O3 — CID 12850524

IUPAC9-methyl-1,4-dioxaspiro[4.6]undecan-8-one
SMILESCC1CCC2(CCC1=O)OCCO2
InChIInChI=1S/C10H16O3/c1-8-2-4-10(5-3-9(8)11)12-6-7-13-10/h8H,2-7H2,1H3
InChIKeyVRXGHEAFTKTSHF-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.51
Rot. Bonds

About 9-methyl-1,4-dioxaspiro[4.6]undecan-8-one

9-methyl-1,4-dioxaspiro[4.6]undecan-8-one (PubChem CID 12850524) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 9-methyl-1,4-dioxaspiro[4.6]undecan-8-one.

Molecular Properties

Compound Name9-methyl-1,4-dioxaspiro[4.6]undecan-8-one
PubChem CID12850524
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name9-methyl-1,4-dioxaspiro[4.6]undecan-8-one
SMILESCC1CCC2(CCC1=O)OCCO2
InChIInChI=1S/C10H16O3/c1-8-2-4-10(5-3-9(8)11)12-6-7-13-10/h8H,2-7H2,1H3
InChIKeyVRXGHEAFTKTSHF-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

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-1,4-dioxaspiro[4.6]undecan-8-one?
The IUPAC name of 9-methyl-1,4-dioxaspiro[4.6]undecan-8-one (CID 12850524) is 9-methyl-1,4-dioxaspiro[4.6]undecan-8-one.
What is the SMILES notation for 9-methyl-1,4-dioxaspiro[4.6]undecan-8-one?
The canonical SMILES for 9-methyl-1,4-dioxaspiro[4.6]undecan-8-one is CC1CCC2(CCC1=O)OCCO2.
What is the InChIKey of 9-methyl-1,4-dioxaspiro[4.6]undecan-8-one?
The InChIKey is VRXGHEAFTKTSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-8-2-4-10(5-3-9(8)11)12-6-7-13-10/h8H,2-7H2,1H3.
What are the key properties of 9-methyl-1,4-dioxaspiro[4.6]undecan-8-one?
9-methyl-1,4-dioxaspiro[4.6]undecan-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 9-methyl-1,4-dioxaspiro[4.6]undecan-8-one is sourced from PubChem (CID 12850524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).