1-oxaspiro[4.5]dec-3-ene

C9H14O — CID 642943

IUPAC1-oxaspiro[4.5]dec-3-ene
SMILESC1=CC2(CCCCC2)OC1
InChIInChI=1S/C9H14O/c1-2-5-9(6-3-1)7-4-8-10-9/h4,7H,1-3,5-6,8H2
InChIKeyPWCVLAIYAIWLQE-UHFFFAOYSA-N
MW138.21 g/mol
LogP2.28
Rot. Bonds

About 1-oxaspiro[4.5]dec-3-ene

1-oxaspiro[4.5]dec-3-ene (PubChem CID 642943) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 1-oxaspiro[4.5]dec-3-ene.

Molecular Properties

Compound Name1-oxaspiro[4.5]dec-3-ene
PubChem CID642943
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name1-oxaspiro[4.5]dec-3-ene
SMILESC1=CC2(CCCCC2)OC1
InChIInChI=1S/C9H14O/c1-2-5-9(6-3-1)7-4-8-10-9/h4,7H,1-3,5-6,8H2
InChIKeyPWCVLAIYAIWLQE-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 1-oxaspiro[4.5]dec-3-ene?
The IUPAC name of 1-oxaspiro[4.5]dec-3-ene (CID 642943) is 1-oxaspiro[4.5]dec-3-ene.
What is the SMILES notation for 1-oxaspiro[4.5]dec-3-ene?
The canonical SMILES for 1-oxaspiro[4.5]dec-3-ene is C1=CC2(CCCCC2)OC1.
What is the InChIKey of 1-oxaspiro[4.5]dec-3-ene?
The InChIKey is PWCVLAIYAIWLQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-2-5-9(6-3-1)7-4-8-10-9/h4,7H,1-3,5-6,8H2.
What are the key properties of 1-oxaspiro[4.5]dec-3-ene?
1-oxaspiro[4.5]dec-3-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 1-oxaspiro[4.5]dec-3-ene is sourced from PubChem (CID 642943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).