8-prop-2-enyl-1,4-dioxaspiro[4.5]dec-6-ene

C11H16O2 — CID 13213600

IUPAC8-prop-2-enyl-1,4-dioxaspiro[4.5]dec-6-ene
SMILESC=CCC1C=CC2(CC1)OCCO2
InChIInChI=1S/C11H16O2/c1-2-3-10-4-6-11(7-5-10)12-8-9-13-11/h2,4,6,10H,1,3,5,7-9H2
InChIKeyMFRDREDNQAOYKN-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.27
Rot. Bonds2

About 8-prop-2-enyl-1,4-dioxaspiro[4.5]dec-6-ene

8-prop-2-enyl-1,4-dioxaspiro[4.5]dec-6-ene (PubChem CID 13213600) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 8-prop-2-enyl-1,4-dioxaspiro[4.5]dec-6-ene.

Molecular Properties

Compound Name8-prop-2-enyl-1,4-dioxaspiro[4.5]dec-6-ene
PubChem CID13213600
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name8-prop-2-enyl-1,4-dioxaspiro[4.5]dec-6-ene
SMILESC=CCC1C=CC2(CC1)OCCO2
InChIInChI=1S/C11H16O2/c1-2-3-10-4-6-11(7-5-10)12-8-9-13-11/h2,4,6,10H,1,3,5,7-9H2
InChIKeyMFRDREDNQAOYKN-UHFFFAOYSA-N
XLogP2.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 8-prop-2-enyl-1,4-dioxaspiro[4.5]dec-6-ene?
The IUPAC name of 8-prop-2-enyl-1,4-dioxaspiro[4.5]dec-6-ene (CID 13213600) is 8-prop-2-enyl-1,4-dioxaspiro[4.5]dec-6-ene.
What is the SMILES notation for 8-prop-2-enyl-1,4-dioxaspiro[4.5]dec-6-ene?
The canonical SMILES for 8-prop-2-enyl-1,4-dioxaspiro[4.5]dec-6-ene is C=CCC1C=CC2(CC1)OCCO2.
What is the InChIKey of 8-prop-2-enyl-1,4-dioxaspiro[4.5]dec-6-ene?
The InChIKey is MFRDREDNQAOYKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-2-3-10-4-6-11(7-5-10)12-8-9-13-11/h2,4,6,10H,1,3,5,7-9H2.
What are the key properties of 8-prop-2-enyl-1,4-dioxaspiro[4.5]dec-6-ene?
8-prop-2-enyl-1,4-dioxaspiro[4.5]dec-6-ene has a molecular weight of 180.25 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-prop-2-enyl-1,4-dioxaspiro[4.5]dec-6-ene is sourced from PubChem (CID 13213600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).