8-methyl-1,4-dioxaspiro[4.5]decan-8-ol

C9H16O3 — CID 18713075

IUPAC8-methyl-1,4-dioxaspiro[4.5]decan-8-ol
SMILESCC1(O)CCC2(CC1)OCCO2
InChIInChI=1S/C9H16O3/c1-8(10)2-4-9(5-3-8)11-6-7-12-9/h10H,2-7H2,1H3
InChIKeyAAYZDXMYYIJKLR-UHFFFAOYSA-N
MW172.22 g/mol
LogP1.05
Rot. Bonds

About 8-methyl-1,4-dioxaspiro[4.5]decan-8-ol

8-methyl-1,4-dioxaspiro[4.5]decan-8-ol (PubChem CID 18713075) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is 8-methyl-1,4-dioxaspiro[4.5]decan-8-ol.

Molecular Properties

Compound Name8-methyl-1,4-dioxaspiro[4.5]decan-8-ol
PubChem CID18713075
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name8-methyl-1,4-dioxaspiro[4.5]decan-8-ol
SMILESCC1(O)CCC2(CC1)OCCO2
InChIInChI=1S/C9H16O3/c1-8(10)2-4-9(5-3-8)11-6-7-12-9/h10H,2-7H2,1H3
InChIKeyAAYZDXMYYIJKLR-UHFFFAOYSA-N
XLogP1.05
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-1,4-dioxaspiro[4.5]decan-8-ol?
The IUPAC name of 8-methyl-1,4-dioxaspiro[4.5]decan-8-ol (CID 18713075) is 8-methyl-1,4-dioxaspiro[4.5]decan-8-ol.
What is the SMILES notation for 8-methyl-1,4-dioxaspiro[4.5]decan-8-ol?
The canonical SMILES for 8-methyl-1,4-dioxaspiro[4.5]decan-8-ol is CC1(O)CCC2(CC1)OCCO2.
What is the InChIKey of 8-methyl-1,4-dioxaspiro[4.5]decan-8-ol?
The InChIKey is AAYZDXMYYIJKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c1-8(10)2-4-9(5-3-8)11-6-7-12-9/h10H,2-7H2,1H3.
What are the key properties of 8-methyl-1,4-dioxaspiro[4.5]decan-8-ol?
8-methyl-1,4-dioxaspiro[4.5]decan-8-ol has a molecular weight of 172.22 g/mol, XLogP of 1.05, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-1,4-dioxaspiro[4.5]decan-8-ol is sourced from PubChem (CID 18713075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).