4-cyclohex-2-en-1-yl-1-methyl-2,6-dioxabicyclo[2.2.1]heptane

C12H18O2 — CID 86063455

IUPAC4-cyclohex-2-en-1-yl-1-methyl-2,6-dioxabicyclo[2.2.1]heptane
SMILESCC12CC(C3C=CCCC3)(CO1)CO2
InChIInChI=1S/C12H18O2/c1-11-7-12(8-13-11,9-14-11)10-5-3-2-4-6-10/h3,5,10H,2,4,6-9H2,1H3
InChIKeyMEWOFWGCEDAOCB-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.50
Rot. Bonds1

About 4-cyclohex-2-en-1-yl-1-methyl-2,6-dioxabicyclo[2.2.1]heptane

4-cyclohex-2-en-1-yl-1-methyl-2,6-dioxabicyclo[2.2.1]heptane (PubChem CID 86063455) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 4-cyclohex-2-en-1-yl-1-methyl-2,6-dioxabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name4-cyclohex-2-en-1-yl-1-methyl-2,6-dioxabicyclo[2.2.1]heptane
PubChem CID86063455
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name4-cyclohex-2-en-1-yl-1-methyl-2,6-dioxabicyclo[2.2.1]heptane
SMILESCC12CC(C3C=CCCC3)(CO1)CO2
InChIInChI=1S/C12H18O2/c1-11-7-12(8-13-11,9-14-11)10-5-3-2-4-6-10/h3,5,10H,2,4,6-9H2,1H3
InChIKeyMEWOFWGCEDAOCB-UHFFFAOYSA-N
XLogP2.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.50
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 4-cyclohex-2-en-1-yl-1-methyl-2,6-dioxabicyclo[2.2.1]heptane?
The IUPAC name of 4-cyclohex-2-en-1-yl-1-methyl-2,6-dioxabicyclo[2.2.1]heptane (CID 86063455) is 4-cyclohex-2-en-1-yl-1-methyl-2,6-dioxabicyclo[2.2.1]heptane.
What is the SMILES notation for 4-cyclohex-2-en-1-yl-1-methyl-2,6-dioxabicyclo[2.2.1]heptane?
The canonical SMILES for 4-cyclohex-2-en-1-yl-1-methyl-2,6-dioxabicyclo[2.2.1]heptane is CC12CC(C3C=CCCC3)(CO1)CO2.
What is the InChIKey of 4-cyclohex-2-en-1-yl-1-methyl-2,6-dioxabicyclo[2.2.1]heptane?
The InChIKey is MEWOFWGCEDAOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-11-7-12(8-13-11,9-14-11)10-5-3-2-4-6-10/h3,5,10H,2,4,6-9H2,1H3.
What are the key properties of 4-cyclohex-2-en-1-yl-1-methyl-2,6-dioxabicyclo[2.2.1]heptane?
4-cyclohex-2-en-1-yl-1-methyl-2,6-dioxabicyclo[2.2.1]heptane has a molecular weight of 194.27 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohex-2-en-1-yl-1-methyl-2,6-dioxabicyclo[2.2.1]heptane is sourced from PubChem (CID 86063455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).