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

C14H22O2 — CID 57108523

IUPAC8'-methyl-6'-propan-2-ylspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene]
SMILESCC1C2C=CCCC2(C(C)C)C12OCCO2
InChIInChI=1S/C14H22O2/c1-10(2)13-7-5-4-6-12(13)11(3)14(13)15-8-9-16-14/h4,6,10-12H,5,7-9H2,1-3H3
InChIKeyFTYZHCGRAOMCHM-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.99
Rot. Bonds1

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

8'-methyl-6'-propan-2-ylspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene] (PubChem CID 57108523) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 8'-methyl-6'-propan-2-ylspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene].

Molecular Properties

Compound Name8'-methyl-6'-propan-2-ylspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene]
PubChem CID57108523
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name8'-methyl-6'-propan-2-ylspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene]
SMILESCC1C2C=CCCC2(C(C)C)C12OCCO2
InChIInChI=1S/C14H22O2/c1-10(2)13-7-5-4-6-12(13)11(3)14(13)15-8-9-16-14/h4,6,10-12H,5,7-9H2,1-3H3
InChIKeyFTYZHCGRAOMCHM-UHFFFAOYSA-N
XLogP2.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'-propan-2-ylspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene]?
The IUPAC name of 8'-methyl-6'-propan-2-ylspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene] (CID 57108523) is 8'-methyl-6'-propan-2-ylspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene].
What is the SMILES notation for 8'-methyl-6'-propan-2-ylspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene]?
The canonical SMILES for 8'-methyl-6'-propan-2-ylspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene] is CC1C2C=CCCC2(C(C)C)C12OCCO2.
What is the InChIKey of 8'-methyl-6'-propan-2-ylspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene]?
The InChIKey is FTYZHCGRAOMCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-10(2)13-7-5-4-6-12(13)11(3)14(13)15-8-9-16-14/h4,6,10-12H,5,7-9H2,1-3H3.
What are the key properties of 8'-methyl-6'-propan-2-ylspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene]?
8'-methyl-6'-propan-2-ylspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene] has a molecular weight of 222.33 g/mol, XLogP of 2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8'-methyl-6'-propan-2-ylspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene] is sourced from PubChem (CID 57108523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).