6-methoxyspiro[2.5]octane

C9H16O — CID 118394394

IUPAC6-methoxyspiro[2.5]octane
SMILESCOC1CCC2(CC1)CC2
InChIInChI=1S/C9H16O/c1-10-8-2-4-9(5-3-8)6-7-9/h8H,2-7H2,1H3
InChIKeyUMMAUZHILJYCTQ-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.36
Rot. Bonds1

About 6-methoxyspiro[2.5]octane

6-methoxyspiro[2.5]octane (PubChem CID 118394394) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 6-methoxyspiro[2.5]octane.

Molecular Properties

Compound Name6-methoxyspiro[2.5]octane
PubChem CID118394394
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name6-methoxyspiro[2.5]octane
SMILESCOC1CCC2(CC1)CC2
InChIInChI=1S/C9H16O/c1-10-8-2-4-9(5-3-8)6-7-9/h8H,2-7H2,1H3
InChIKeyUMMAUZHILJYCTQ-UHFFFAOYSA-N
XLogP2.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-methoxyspiro[2.5]octane?
The IUPAC name of 6-methoxyspiro[2.5]octane (CID 118394394) is 6-methoxyspiro[2.5]octane.
What is the SMILES notation for 6-methoxyspiro[2.5]octane?
The canonical SMILES for 6-methoxyspiro[2.5]octane is COC1CCC2(CC1)CC2.
What is the InChIKey of 6-methoxyspiro[2.5]octane?
The InChIKey is UMMAUZHILJYCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-10-8-2-4-9(5-3-8)6-7-9/h8H,2-7H2,1H3.
What are the key properties of 6-methoxyspiro[2.5]octane?
6-methoxyspiro[2.5]octane has a molecular weight of 140.23 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxyspiro[2.5]octane is sourced from PubChem (CID 118394394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).