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

C14H22O3 — CID 57111103

IUPAC8'-methyl-6'-propoxyspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene]
SMILESCCCOC12CCC=CC1C(C)C21OCCO1
InChIInChI=1S/C14H22O3/c1-3-8-15-13-7-5-4-6-12(13)11(2)14(13)16-9-10-17-14/h4,6,11-12H,3,5,7-10H2,1-2H3
InChIKeyGPPIRTZRSCICNB-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.51
Rot. Bonds3

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

8'-methyl-6'-propoxyspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene] (PubChem CID 57111103) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is 8'-methyl-6'-propoxyspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene].

Molecular Properties

Compound Name8'-methyl-6'-propoxyspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene]
PubChem CID57111103
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name8'-methyl-6'-propoxyspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene]
SMILESCCCOC12CCC=CC1C(C)C21OCCO1
InChIInChI=1S/C14H22O3/c1-3-8-15-13-7-5-4-6-12(13)11(2)14(13)16-9-10-17-14/h4,6,11-12H,3,5,7-10H2,1-2H3
InChIKeyGPPIRTZRSCICNB-UHFFFAOYSA-N
XLogP2.51
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.51
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'-propoxyspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene]?
The IUPAC name of 8'-methyl-6'-propoxyspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene] (CID 57111103) is 8'-methyl-6'-propoxyspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene].
What is the SMILES notation for 8'-methyl-6'-propoxyspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene]?
The canonical SMILES for 8'-methyl-6'-propoxyspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene] is CCCOC12CCC=CC1C(C)C21OCCO1.
What is the InChIKey of 8'-methyl-6'-propoxyspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene]?
The InChIKey is GPPIRTZRSCICNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c1-3-8-15-13-7-5-4-6-12(13)11(2)14(13)16-9-10-17-14/h4,6,11-12H,3,5,7-10H2,1-2H3.
What are the key properties of 8'-methyl-6'-propoxyspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene]?
8'-methyl-6'-propoxyspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene] has a molecular weight of 238.33 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8'-methyl-6'-propoxyspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene] is sourced from PubChem (CID 57111103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).