8'-ethyl-6'-methoxyspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene]

C13H20O3 — CID 57197840

IUPAC8'-ethyl-6'-methoxyspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene]
SMILESCCC1C2C=CCCC2(OC)C12OCCO2
InChIInChI=1S/C13H20O3/c1-3-10-11-6-4-5-7-12(11,14-2)13(10)15-8-9-16-13/h4,6,10-11H,3,5,7-9H2,1-2H3
InChIKeyYOAGCPAKTPKUPK-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.12
Rot. Bonds2

About 8'-ethyl-6'-methoxyspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene]

8'-ethyl-6'-methoxyspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene] (PubChem CID 57197840) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is 8'-ethyl-6'-methoxyspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene].

Molecular Properties

Compound Name8'-ethyl-6'-methoxyspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene]
PubChem CID57197840
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name8'-ethyl-6'-methoxyspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene]
SMILESCCC1C2C=CCCC2(OC)C12OCCO2
InChIInChI=1S/C13H20O3/c1-3-10-11-6-4-5-7-12(11,14-2)13(10)15-8-9-16-13/h4,6,10-11H,3,5,7-9H2,1-2H3
InChIKeyYOAGCPAKTPKUPK-UHFFFAOYSA-N
XLogP2.12
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'-ethyl-6'-methoxyspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene]?
The IUPAC name of 8'-ethyl-6'-methoxyspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene] (CID 57197840) is 8'-ethyl-6'-methoxyspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene].
What is the SMILES notation for 8'-ethyl-6'-methoxyspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene]?
The canonical SMILES for 8'-ethyl-6'-methoxyspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene] is CCC1C2C=CCCC2(OC)C12OCCO2.
What is the InChIKey of 8'-ethyl-6'-methoxyspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene]?
The InChIKey is YOAGCPAKTPKUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3/c1-3-10-11-6-4-5-7-12(11,14-2)13(10)15-8-9-16-13/h4,6,10-11H,3,5,7-9H2,1-2H3.
What are the key properties of 8'-ethyl-6'-methoxyspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene]?
8'-ethyl-6'-methoxyspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene] has a molecular weight of 224.30 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8'-ethyl-6'-methoxyspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene] is sourced from PubChem (CID 57197840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).