7-(hydroxymethyl)-7-methyl-1,4-dioxaspiro[4.5]decan-8-one

C10H16O4 — CID 45096686

IUPAC7-(hydroxymethyl)-7-methyl-1,4-dioxaspiro[4.5]decan-8-one
SMILESCC1(CO)CC2(CCC1=O)OCCO2
InChIInChI=1S/C10H16O4/c1-9(7-11)6-10(3-2-8(9)12)13-4-5-14-10/h11H,2-7H2,1H3
InChIKeyGKUIOUJWSPWIPU-UHFFFAOYSA-N
MW200.23 g/mol
LogP0.48
Rot. Bonds1

About 7-(hydroxymethyl)-7-methyl-1,4-dioxaspiro[4.5]decan-8-one

7-(hydroxymethyl)-7-methyl-1,4-dioxaspiro[4.5]decan-8-one (PubChem CID 45096686) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is 7-(hydroxymethyl)-7-methyl-1,4-dioxaspiro[4.5]decan-8-one.

Molecular Properties

Compound Name7-(hydroxymethyl)-7-methyl-1,4-dioxaspiro[4.5]decan-8-one
PubChem CID45096686
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name7-(hydroxymethyl)-7-methyl-1,4-dioxaspiro[4.5]decan-8-one
SMILESCC1(CO)CC2(CCC1=O)OCCO2
InChIInChI=1S/C10H16O4/c1-9(7-11)6-10(3-2-8(9)12)13-4-5-14-10/h11H,2-7H2,1H3
InChIKeyGKUIOUJWSPWIPU-UHFFFAOYSA-N
XLogP0.48
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(hydroxymethyl)-7-methyl-1,4-dioxaspiro[4.5]decan-8-one?
The IUPAC name of 7-(hydroxymethyl)-7-methyl-1,4-dioxaspiro[4.5]decan-8-one (CID 45096686) is 7-(hydroxymethyl)-7-methyl-1,4-dioxaspiro[4.5]decan-8-one.
What is the SMILES notation for 7-(hydroxymethyl)-7-methyl-1,4-dioxaspiro[4.5]decan-8-one?
The canonical SMILES for 7-(hydroxymethyl)-7-methyl-1,4-dioxaspiro[4.5]decan-8-one is CC1(CO)CC2(CCC1=O)OCCO2.
What is the InChIKey of 7-(hydroxymethyl)-7-methyl-1,4-dioxaspiro[4.5]decan-8-one?
The InChIKey is GKUIOUJWSPWIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-9(7-11)6-10(3-2-8(9)12)13-4-5-14-10/h11H,2-7H2,1H3.
What are the key properties of 7-(hydroxymethyl)-7-methyl-1,4-dioxaspiro[4.5]decan-8-one?
7-(hydroxymethyl)-7-methyl-1,4-dioxaspiro[4.5]decan-8-one has a molecular weight of 200.23 g/mol, XLogP of 0.48, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(hydroxymethyl)-7-methyl-1,4-dioxaspiro[4.5]decan-8-one is sourced from PubChem (CID 45096686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).