2,6-dimethyl-8-prop-1-en-2-yl-7-oxatricyclo[6.2.1.01,6]undec-4-ene

C15H22O — CID 527194

IUPAC2,6-dimethyl-8-prop-1-en-2-yl-7-oxatricyclo[6.2.1.01,6]undec-4-ene
SMILESC=C(C)C12CCC3(C1)C(C)CC=CC3(C)O2
InChIInChI=1S/C15H22O/c1-11(2)15-9-8-14(10-15)12(3)6-5-7-13(14,4)16-15/h5,7,12H,1,6,8-10H2,2-4H3
InChIKeyRJDKCAMBNKUPIB-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.86
Rot. Bonds1

About 2,6-dimethyl-8-prop-1-en-2-yl-7-oxatricyclo[6.2.1.01,6]undec-4-ene

2,6-dimethyl-8-prop-1-en-2-yl-7-oxatricyclo[6.2.1.01,6]undec-4-ene (PubChem CID 527194) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 2,6-dimethyl-8-prop-1-en-2-yl-7-oxatricyclo[6.2.1.01,6]undec-4-ene.

Molecular Properties

Compound Name2,6-dimethyl-8-prop-1-en-2-yl-7-oxatricyclo[6.2.1.01,6]undec-4-ene
PubChem CID527194
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name2,6-dimethyl-8-prop-1-en-2-yl-7-oxatricyclo[6.2.1.01,6]undec-4-ene
SMILESC=C(C)C12CCC3(C1)C(C)CC=CC3(C)O2
InChIInChI=1S/C15H22O/c1-11(2)15-9-8-14(10-15)12(3)6-5-7-13(14,4)16-15/h5,7,12H,1,6,8-10H2,2-4H3
InChIKeyRJDKCAMBNKUPIB-UHFFFAOYSA-N
XLogP3.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,6-dimethyl-8-prop-1-en-2-yl-7-oxatricyclo[6.2.1.01,6]undec-4-ene with MolForge

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Related Compounds

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4,8a-dimethyl-6-prop-1-en-2-yl-2,3,4,5,7,8-hexahydro-1H-naphthalene-1,2,4a,6-tetrol
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4,6,6-trimethyl-2-[(1E)-3-methylbuta-1,3-dienyl]-3-oxatricyclo[5.1.0.02,4]octane
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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-8-prop-1-en-2-yl-7-oxatricyclo[6.2.1.01,6]undec-4-ene?
The IUPAC name of 2,6-dimethyl-8-prop-1-en-2-yl-7-oxatricyclo[6.2.1.01,6]undec-4-ene (CID 527194) is 2,6-dimethyl-8-prop-1-en-2-yl-7-oxatricyclo[6.2.1.01,6]undec-4-ene.
What is the SMILES notation for 2,6-dimethyl-8-prop-1-en-2-yl-7-oxatricyclo[6.2.1.01,6]undec-4-ene?
The canonical SMILES for 2,6-dimethyl-8-prop-1-en-2-yl-7-oxatricyclo[6.2.1.01,6]undec-4-ene is C=C(C)C12CCC3(C1)C(C)CC=CC3(C)O2.
What is the InChIKey of 2,6-dimethyl-8-prop-1-en-2-yl-7-oxatricyclo[6.2.1.01,6]undec-4-ene?
The InChIKey is RJDKCAMBNKUPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O/c1-11(2)15-9-8-14(10-15)12(3)6-5-7-13(14,4)16-15/h5,7,12H,1,6,8-10H2,2-4H3.
What are the key properties of 2,6-dimethyl-8-prop-1-en-2-yl-7-oxatricyclo[6.2.1.01,6]undec-4-ene?
2,6-dimethyl-8-prop-1-en-2-yl-7-oxatricyclo[6.2.1.01,6]undec-4-ene has a molecular weight of 218.34 g/mol, XLogP of 3.86, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-8-prop-1-en-2-yl-7-oxatricyclo[6.2.1.01,6]undec-4-ene is sourced from PubChem (CID 527194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).