3-methoxy-1-oxaspiro[4.5]decane

C10H18O2 — CID 51358007

IUPAC3-methoxy-1-oxaspiro[4.5]decane
SMILESCOC1COC2(CCCCC2)C1
InChIInChI=1S/C10H18O2/c1-11-9-7-10(12-8-9)5-3-2-4-6-10/h9H,2-8H2,1H3
InChIKeyURLJIVXNVUEKBY-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.12
Rot. Bonds1

About 3-methoxy-1-oxaspiro[4.5]decane

3-methoxy-1-oxaspiro[4.5]decane (PubChem CID 51358007) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 3-methoxy-1-oxaspiro[4.5]decane.

Molecular Properties

Compound Name3-methoxy-1-oxaspiro[4.5]decane
PubChem CID51358007
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name3-methoxy-1-oxaspiro[4.5]decane
SMILESCOC1COC2(CCCCC2)C1
InChIInChI=1S/C10H18O2/c1-11-9-7-10(12-8-9)5-3-2-4-6-10/h9H,2-8H2,1H3
InChIKeyURLJIVXNVUEKBY-UHFFFAOYSA-N
XLogP2.12
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-oxaspiro[4.5]decane?
The IUPAC name of 3-methoxy-1-oxaspiro[4.5]decane (CID 51358007) is 3-methoxy-1-oxaspiro[4.5]decane.
What is the SMILES notation for 3-methoxy-1-oxaspiro[4.5]decane?
The canonical SMILES for 3-methoxy-1-oxaspiro[4.5]decane is COC1COC2(CCCCC2)C1.
What is the InChIKey of 3-methoxy-1-oxaspiro[4.5]decane?
The InChIKey is URLJIVXNVUEKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-11-9-7-10(12-8-9)5-3-2-4-6-10/h9H,2-8H2,1H3.
What are the key properties of 3-methoxy-1-oxaspiro[4.5]decane?
3-methoxy-1-oxaspiro[4.5]decane has a molecular weight of 170.25 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-oxaspiro[4.5]decane is sourced from PubChem (CID 51358007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).