6-methyl-1,4-dioxaspiro[4.5]decan-7-one

C9H14O3 — CID 10012321

IUPAC6-methyl-1,4-dioxaspiro[4.5]decan-7-one
SMILESCC1C(=O)CCCC12OCCO2
InChIInChI=1S/C9H14O3/c1-7-8(10)3-2-4-9(7)11-5-6-12-9/h7H,2-6H2,1H3
InChIKeyXEFZEVRYYZUDDW-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.12
Rot. Bonds

About 6-methyl-1,4-dioxaspiro[4.5]decan-7-one

6-methyl-1,4-dioxaspiro[4.5]decan-7-one (PubChem CID 10012321) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is 6-methyl-1,4-dioxaspiro[4.5]decan-7-one.

Molecular Properties

Compound Name6-methyl-1,4-dioxaspiro[4.5]decan-7-one
PubChem CID10012321
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name6-methyl-1,4-dioxaspiro[4.5]decan-7-one
SMILESCC1C(=O)CCCC12OCCO2
InChIInChI=1S/C9H14O3/c1-7-8(10)3-2-4-9(7)11-5-6-12-9/h7H,2-6H2,1H3
InChIKeyXEFZEVRYYZUDDW-UHFFFAOYSA-N
XLogP1.12
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1,4-dioxaspiro[4.5]decan-7-one?
The IUPAC name of 6-methyl-1,4-dioxaspiro[4.5]decan-7-one (CID 10012321) is 6-methyl-1,4-dioxaspiro[4.5]decan-7-one.
What is the SMILES notation for 6-methyl-1,4-dioxaspiro[4.5]decan-7-one?
The canonical SMILES for 6-methyl-1,4-dioxaspiro[4.5]decan-7-one is CC1C(=O)CCCC12OCCO2.
What is the InChIKey of 6-methyl-1,4-dioxaspiro[4.5]decan-7-one?
The InChIKey is XEFZEVRYYZUDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c1-7-8(10)3-2-4-9(7)11-5-6-12-9/h7H,2-6H2,1H3.
What are the key properties of 6-methyl-1,4-dioxaspiro[4.5]decan-7-one?
6-methyl-1,4-dioxaspiro[4.5]decan-7-one has a molecular weight of 170.21 g/mol, XLogP of 1.12, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1,4-dioxaspiro[4.5]decan-7-one is sourced from PubChem (CID 10012321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).