8-(2-methylprop-1-enoxymethyl)-10-oxatricyclo[5.2.1.02,6]decane

C14H22O2 — CID 176604700

IUPAC8-(2-methylprop-1-enoxymethyl)-10-oxatricyclo[5.2.1.02,6]decane
SMILESCC(C)=COCC1CC2OC1C1CCCC21
InChIInChI=1S/C14H22O2/c1-9(2)7-15-8-10-6-13-11-4-3-5-12(11)14(10)16-13/h7,10-14H,3-6,8H2,1-2H3
InChIKeyHAMNETYZRVNPPC-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.13
Rot. Bonds3

About 8-(2-methylprop-1-enoxymethyl)-10-oxatricyclo[5.2.1.02,6]decane

8-(2-methylprop-1-enoxymethyl)-10-oxatricyclo[5.2.1.02,6]decane (PubChem CID 176604700) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 8-(2-methylprop-1-enoxymethyl)-10-oxatricyclo[5.2.1.02,6]decane.

Molecular Properties

Compound Name8-(2-methylprop-1-enoxymethyl)-10-oxatricyclo[5.2.1.02,6]decane
PubChem CID176604700
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name8-(2-methylprop-1-enoxymethyl)-10-oxatricyclo[5.2.1.02,6]decane
SMILESCC(C)=COCC1CC2OC1C1CCCC21
InChIInChI=1S/C14H22O2/c1-9(2)7-15-8-10-6-13-11-4-3-5-12(11)14(10)16-13/h7,10-14H,3-6,8H2,1-2H3
InChIKeyHAMNETYZRVNPPC-UHFFFAOYSA-N
XLogP3.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(2-methylprop-1-enoxymethyl)-10-oxatricyclo[5.2.1.02,6]decane?
The IUPAC name of 8-(2-methylprop-1-enoxymethyl)-10-oxatricyclo[5.2.1.02,6]decane (CID 176604700) is 8-(2-methylprop-1-enoxymethyl)-10-oxatricyclo[5.2.1.02,6]decane.
What is the SMILES notation for 8-(2-methylprop-1-enoxymethyl)-10-oxatricyclo[5.2.1.02,6]decane?
The canonical SMILES for 8-(2-methylprop-1-enoxymethyl)-10-oxatricyclo[5.2.1.02,6]decane is CC(C)=COCC1CC2OC1C1CCCC21.
What is the InChIKey of 8-(2-methylprop-1-enoxymethyl)-10-oxatricyclo[5.2.1.02,6]decane?
The InChIKey is HAMNETYZRVNPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-9(2)7-15-8-10-6-13-11-4-3-5-12(11)14(10)16-13/h7,10-14H,3-6,8H2,1-2H3.
What are the key properties of 8-(2-methylprop-1-enoxymethyl)-10-oxatricyclo[5.2.1.02,6]decane?
8-(2-methylprop-1-enoxymethyl)-10-oxatricyclo[5.2.1.02,6]decane has a molecular weight of 222.33 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methylprop-1-enoxymethyl)-10-oxatricyclo[5.2.1.02,6]decane is sourced from PubChem (CID 176604700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).