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

C15H24O3 — CID 57126372

IUPAC8'-butyl-6'-methoxyspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene]
SMILESCCCCC1C2C=CCCC2(OC)C12OCCO2
InChIInChI=1S/C15H24O3/c1-3-4-7-13-12-8-5-6-9-14(12,16-2)15(13)17-10-11-18-15/h5,8,12-13H,3-4,6-7,9-11H2,1-2H3
InChIKeyKCQBZSCQRUIKBK-UHFFFAOYSA-N
MW252.35 g/mol
LogP2.90
Rot. Bonds4

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

8'-butyl-6'-methoxyspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene] (PubChem CID 57126372) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is 8'-butyl-6'-methoxyspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene].

Molecular Properties

Compound Name8'-butyl-6'-methoxyspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene]
PubChem CID57126372
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name8'-butyl-6'-methoxyspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene]
SMILESCCCCC1C2C=CCCC2(OC)C12OCCO2
InChIInChI=1S/C15H24O3/c1-3-4-7-13-12-8-5-6-9-14(12,16-2)15(13)17-10-11-18-15/h5,8,12-13H,3-4,6-7,9-11H2,1-2H3
InChIKeyKCQBZSCQRUIKBK-UHFFFAOYSA-N
XLogP2.90
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 52.90
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'-butyl-6'-methoxyspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene]?
The IUPAC name of 8'-butyl-6'-methoxyspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene] (CID 57126372) is 8'-butyl-6'-methoxyspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene].
What is the SMILES notation for 8'-butyl-6'-methoxyspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene]?
The canonical SMILES for 8'-butyl-6'-methoxyspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene] is CCCCC1C2C=CCCC2(OC)C12OCCO2.
What is the InChIKey of 8'-butyl-6'-methoxyspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene]?
The InChIKey is KCQBZSCQRUIKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3/c1-3-4-7-13-12-8-5-6-9-14(12,16-2)15(13)17-10-11-18-15/h5,8,12-13H,3-4,6-7,9-11H2,1-2H3.
What are the key properties of 8'-butyl-6'-methoxyspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene]?
8'-butyl-6'-methoxyspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene] has a molecular weight of 252.35 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8'-butyl-6'-methoxyspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene] is sourced from PubChem (CID 57126372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).