6-oxaspiro[4.5]dec-9-ene

C9H14O — CID 66602964

IUPAC6-oxaspiro[4.5]dec-9-ene
SMILESC1=CC2(CCCC2)OCC1
InChIInChI=1S/C9H14O/c1-2-6-9(5-1)7-3-4-8-10-9/h3,7H,1-2,4-6,8H2
InChIKeyJLFMNPYVECIRQM-UHFFFAOYSA-N
MW138.21 g/mol
LogP2.28
Rot. Bonds

About 6-oxaspiro[4.5]dec-9-ene

6-oxaspiro[4.5]dec-9-ene (PubChem CID 66602964) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 6-oxaspiro[4.5]dec-9-ene.

Molecular Properties

Compound Name6-oxaspiro[4.5]dec-9-ene
PubChem CID66602964
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name6-oxaspiro[4.5]dec-9-ene
SMILESC1=CC2(CCCC2)OCC1
InChIInChI=1S/C9H14O/c1-2-6-9(5-1)7-3-4-8-10-9/h3,7H,1-2,4-6,8H2
InChIKeyJLFMNPYVECIRQM-UHFFFAOYSA-N
XLogP2.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-oxaspiro[4.5]dec-9-ene?
The IUPAC name of 6-oxaspiro[4.5]dec-9-ene (CID 66602964) is 6-oxaspiro[4.5]dec-9-ene.
What is the SMILES notation for 6-oxaspiro[4.5]dec-9-ene?
The canonical SMILES for 6-oxaspiro[4.5]dec-9-ene is C1=CC2(CCCC2)OCC1.
What is the InChIKey of 6-oxaspiro[4.5]dec-9-ene?
The InChIKey is JLFMNPYVECIRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-2-6-9(5-1)7-3-4-8-10-9/h3,7H,1-2,4-6,8H2.
What are the key properties of 6-oxaspiro[4.5]dec-9-ene?
6-oxaspiro[4.5]dec-9-ene has a molecular weight of 138.21 g/mol, XLogP of 2.28, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxaspiro[4.5]dec-9-ene is sourced from PubChem (CID 66602964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).