3-prop-2-enyl-1-oxaspiro[4.5]dec-3-ene

C12H18O — CID 10986846

IUPAC3-prop-2-enyl-1-oxaspiro[4.5]dec-3-ene
SMILESC=CCC1=CC2(CCCCC2)OC1
InChIInChI=1S/C12H18O/c1-2-6-11-9-12(13-10-11)7-4-3-5-8-12/h2,9H,1,3-8,10H2
InChIKeyMTQFRCYHHBGPMH-UHFFFAOYSA-N
MW178.27 g/mol
LogP3.22
Rot. Bonds2

About 3-prop-2-enyl-1-oxaspiro[4.5]dec-3-ene

3-prop-2-enyl-1-oxaspiro[4.5]dec-3-ene (PubChem CID 10986846) has the molecular formula C12H18O and a molecular weight of 178.27 g/mol. Its IUPAC name is 3-prop-2-enyl-1-oxaspiro[4.5]dec-3-ene.

Molecular Properties

Compound Name3-prop-2-enyl-1-oxaspiro[4.5]dec-3-ene
PubChem CID10986846
Molecular FormulaC12H18O
Molecular Weight178.27 g/mol
Exact Mass178.14
IUPAC Name3-prop-2-enyl-1-oxaspiro[4.5]dec-3-ene
SMILESC=CCC1=CC2(CCCCC2)OC1
InChIInChI=1S/C12H18O/c1-2-6-11-9-12(13-10-11)7-4-3-5-8-12/h2,9H,1,3-8,10H2
InChIKeyMTQFRCYHHBGPMH-UHFFFAOYSA-N
XLogP3.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 53.22
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 3-prop-2-enyl-1-oxaspiro[4.5]dec-3-ene?
The IUPAC name of 3-prop-2-enyl-1-oxaspiro[4.5]dec-3-ene (CID 10986846) is 3-prop-2-enyl-1-oxaspiro[4.5]dec-3-ene.
What is the SMILES notation for 3-prop-2-enyl-1-oxaspiro[4.5]dec-3-ene?
The canonical SMILES for 3-prop-2-enyl-1-oxaspiro[4.5]dec-3-ene is C=CCC1=CC2(CCCCC2)OC1.
What is the InChIKey of 3-prop-2-enyl-1-oxaspiro[4.5]dec-3-ene?
The InChIKey is MTQFRCYHHBGPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O/c1-2-6-11-9-12(13-10-11)7-4-3-5-8-12/h2,9H,1,3-8,10H2.
What are the key properties of 3-prop-2-enyl-1-oxaspiro[4.5]dec-3-ene?
3-prop-2-enyl-1-oxaspiro[4.5]dec-3-ene has a molecular weight of 178.27 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enyl-1-oxaspiro[4.5]dec-3-ene is sourced from PubChem (CID 10986846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).