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

C13H20O3 — CID 57224987

IUPAC6'-ethoxy-8'-methylspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene]
SMILESCCOC12CCC=CC1C(C)C21OCCO1
InChIInChI=1S/C13H20O3/c1-3-14-12-7-5-4-6-11(12)10(2)13(12)15-8-9-16-13/h4,6,10-11H,3,5,7-9H2,1-2H3
InChIKeyKNVHPFBCJQYUIM-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.12
Rot. Bonds2

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

6'-ethoxy-8'-methylspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene] (PubChem CID 57224987) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is 6'-ethoxy-8'-methylspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene].

Molecular Properties

Compound Name6'-ethoxy-8'-methylspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene]
PubChem CID57224987
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name6'-ethoxy-8'-methylspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene]
SMILESCCOC12CCC=CC1C(C)C21OCCO1
InChIInChI=1S/C13H20O3/c1-3-14-12-7-5-4-6-11(12)10(2)13(12)15-8-9-16-13/h4,6,10-11H,3,5,7-9H2,1-2H3
InChIKeyKNVHPFBCJQYUIM-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 6'-ethoxy-8'-methylspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene]?
The IUPAC name of 6'-ethoxy-8'-methylspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene] (CID 57224987) is 6'-ethoxy-8'-methylspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene].
What is the SMILES notation for 6'-ethoxy-8'-methylspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene]?
The canonical SMILES for 6'-ethoxy-8'-methylspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene] is CCOC12CCC=CC1C(C)C21OCCO1.
What is the InChIKey of 6'-ethoxy-8'-methylspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene]?
The InChIKey is KNVHPFBCJQYUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3/c1-3-14-12-7-5-4-6-11(12)10(2)13(12)15-8-9-16-13/h4,6,10-11H,3,5,7-9H2,1-2H3.
What are the key properties of 6'-ethoxy-8'-methylspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene]?
6'-ethoxy-8'-methylspiro[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 6'-ethoxy-8'-methylspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene] is sourced from PubChem (CID 57224987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).