3-[2-(6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl)ethoxymethyl]-3-ethyloxetane

C17H28O2 — CID 167269391

IUPAC3-[2-(6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl)ethoxymethyl]-3-ethyloxetane
SMILESCCC1(COCCC2=CC3CC(C2)C3(C)C)COC1
InChIInChI=1S/C17H28O2/c1-4-17(11-19-12-17)10-18-6-5-13-7-14-9-15(8-13)16(14,2)3/h7,14-15H,4-6,8-12H2,1-3H3
InChIKeyFTSNUVVQXPVRAS-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.81
Rot. Bonds6

About 3-[2-(6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl)ethoxymethyl]-3-ethyloxetane

3-[2-(6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl)ethoxymethyl]-3-ethyloxetane (PubChem CID 167269391) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is 3-[2-(6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl)ethoxymethyl]-3-ethyloxetane.

Molecular Properties

Compound Name3-[2-(6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl)ethoxymethyl]-3-ethyloxetane
PubChem CID167269391
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Name3-[2-(6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl)ethoxymethyl]-3-ethyloxetane
SMILESCCC1(COCCC2=CC3CC(C2)C3(C)C)COC1
InChIInChI=1S/C17H28O2/c1-4-17(11-19-12-17)10-18-6-5-13-7-14-9-15(8-13)16(14,2)3/h7,14-15H,4-6,8-12H2,1-3H3
InChIKeyFTSNUVVQXPVRAS-UHFFFAOYSA-N
XLogP3.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl)ethoxymethyl]-3-ethyloxetane?
The IUPAC name of 3-[2-(6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl)ethoxymethyl]-3-ethyloxetane (CID 167269391) is 3-[2-(6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl)ethoxymethyl]-3-ethyloxetane.
What is the SMILES notation for 3-[2-(6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl)ethoxymethyl]-3-ethyloxetane?
The canonical SMILES for 3-[2-(6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl)ethoxymethyl]-3-ethyloxetane is CCC1(COCCC2=CC3CC(C2)C3(C)C)COC1.
What is the InChIKey of 3-[2-(6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl)ethoxymethyl]-3-ethyloxetane?
The InChIKey is FTSNUVVQXPVRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O2/c1-4-17(11-19-12-17)10-18-6-5-13-7-14-9-15(8-13)16(14,2)3/h7,14-15H,4-6,8-12H2,1-3H3.
What are the key properties of 3-[2-(6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl)ethoxymethyl]-3-ethyloxetane?
3-[2-(6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl)ethoxymethyl]-3-ethyloxetane has a molecular weight of 264.41 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl)ethoxymethyl]-3-ethyloxetane is sourced from PubChem (CID 167269391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).