8-methyl-1,4-dioxaspiro[4.5]decane

C9H16O2 — CID 10953772

IUPAC8-methyl-1,4-dioxaspiro[4.5]decane
SMILESCC1CCC2(CC1)OCCO2
InChIInChI=1S/C9H16O2/c1-8-2-4-9(5-3-8)10-6-7-11-9/h8H,2-7H2,1H3
InChIKeyVBUPAIUJQXLIBZ-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.94
Rot. Bonds

About 8-methyl-1,4-dioxaspiro[4.5]decane

8-methyl-1,4-dioxaspiro[4.5]decane (PubChem CID 10953772) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 8-methyl-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name8-methyl-1,4-dioxaspiro[4.5]decane
PubChem CID10953772
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name8-methyl-1,4-dioxaspiro[4.5]decane
SMILESCC1CCC2(CC1)OCCO2
InChIInChI=1S/C9H16O2/c1-8-2-4-9(5-3-8)10-6-7-11-9/h8H,2-7H2,1H3
InChIKeyVBUPAIUJQXLIBZ-UHFFFAOYSA-N
XLogP1.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 8-methyl-1,4-dioxaspiro[4.5]decane (CID 10953772) is 8-methyl-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 8-methyl-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 8-methyl-1,4-dioxaspiro[4.5]decane is CC1CCC2(CC1)OCCO2.
What is the InChIKey of 8-methyl-1,4-dioxaspiro[4.5]decane?
The InChIKey is VBUPAIUJQXLIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-8-2-4-9(5-3-8)10-6-7-11-9/h8H,2-7H2,1H3.
What are the key properties of 8-methyl-1,4-dioxaspiro[4.5]decane?
8-methyl-1,4-dioxaspiro[4.5]decane has a molecular weight of 156.22 g/mol, XLogP of 1.94, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 10953772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).