8'-methyl-6'-(2-methylpropoxy)spiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene]

C15H24O3 — CID 57125151

IUPAC8'-methyl-6'-(2-methylpropoxy)spiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene]
SMILESCC(C)COC12CCC=CC1C(C)C21OCCO1
InChIInChI=1S/C15H24O3/c1-11(2)10-18-14-7-5-4-6-13(14)12(3)15(14)16-8-9-17-15/h4,6,11-13H,5,7-10H2,1-3H3
InChIKeyLYVUJSVDDNNQGN-UHFFFAOYSA-N
MW252.35 g/mol
LogP2.76
Rot. Bonds3

About 8'-methyl-6'-(2-methylpropoxy)spiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene]

8'-methyl-6'-(2-methylpropoxy)spiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene] (PubChem CID 57125151) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is 8'-methyl-6'-(2-methylpropoxy)spiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene].

Molecular Properties

Compound Name8'-methyl-6'-(2-methylpropoxy)spiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene]
PubChem CID57125151
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name8'-methyl-6'-(2-methylpropoxy)spiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene]
SMILESCC(C)COC12CCC=CC1C(C)C21OCCO1
InChIInChI=1S/C15H24O3/c1-11(2)10-18-14-7-5-4-6-13(14)12(3)15(14)16-8-9-17-15/h4,6,11-13H,5,7-10H2,1-3H3
InChIKeyLYVUJSVDDNNQGN-UHFFFAOYSA-N
XLogP2.76
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 52.76
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'-methyl-6'-(2-methylpropoxy)spiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene]?
The IUPAC name of 8'-methyl-6'-(2-methylpropoxy)spiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene] (CID 57125151) is 8'-methyl-6'-(2-methylpropoxy)spiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene].
What is the SMILES notation for 8'-methyl-6'-(2-methylpropoxy)spiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene]?
The canonical SMILES for 8'-methyl-6'-(2-methylpropoxy)spiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene] is CC(C)COC12CCC=CC1C(C)C21OCCO1.
What is the InChIKey of 8'-methyl-6'-(2-methylpropoxy)spiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene]?
The InChIKey is LYVUJSVDDNNQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3/c1-11(2)10-18-14-7-5-4-6-13(14)12(3)15(14)16-8-9-17-15/h4,6,11-13H,5,7-10H2,1-3H3.
What are the key properties of 8'-methyl-6'-(2-methylpropoxy)spiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene]?
8'-methyl-6'-(2-methylpropoxy)spiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene] has a molecular weight of 252.35 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8'-methyl-6'-(2-methylpropoxy)spiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene] is sourced from PubChem (CID 57125151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).