9-methoxy-9,10-dimethyltricyclo[6.2.1.02,7]undeca-2,4,6-triene

C14H18O — CID 575756

IUPAC9-methoxy-9,10-dimethyltricyclo[6.2.1.02,7]undeca-2,4,6-triene
SMILESCOC1(C)C2CC(c3ccccc32)C1C
InChIInChI=1S/C14H18O/c1-9-12-8-13(14(9,2)15-3)11-7-5-4-6-10(11)12/h4-7,9,12-13H,8H2,1-3H3
InChIKeyIPHAULPAKMCNPK-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.31
Rot. Bonds1

About 9-methoxy-9,10-dimethyltricyclo[6.2.1.02,7]undeca-2,4,6-triene

9-methoxy-9,10-dimethyltricyclo[6.2.1.02,7]undeca-2,4,6-triene (PubChem CID 575756) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is 9-methoxy-9,10-dimethyltricyclo[6.2.1.02,7]undeca-2,4,6-triene.

Molecular Properties

Compound Name9-methoxy-9,10-dimethyltricyclo[6.2.1.02,7]undeca-2,4,6-triene
PubChem CID575756
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name9-methoxy-9,10-dimethyltricyclo[6.2.1.02,7]undeca-2,4,6-triene
SMILESCOC1(C)C2CC(c3ccccc32)C1C
InChIInChI=1S/C14H18O/c1-9-12-8-13(14(9,2)15-3)11-7-5-4-6-10(11)12/h4-7,9,12-13H,8H2,1-3H3
InChIKeyIPHAULPAKMCNPK-UHFFFAOYSA-N
XLogP3.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9-methoxy-9,10-dimethyltricyclo[6.2.1.02,7]undeca-2,4,6-triene?
The IUPAC name of 9-methoxy-9,10-dimethyltricyclo[6.2.1.02,7]undeca-2,4,6-triene (CID 575756) is 9-methoxy-9,10-dimethyltricyclo[6.2.1.02,7]undeca-2,4,6-triene.
What is the SMILES notation for 9-methoxy-9,10-dimethyltricyclo[6.2.1.02,7]undeca-2,4,6-triene?
The canonical SMILES for 9-methoxy-9,10-dimethyltricyclo[6.2.1.02,7]undeca-2,4,6-triene is COC1(C)C2CC(c3ccccc32)C1C.
What is the InChIKey of 9-methoxy-9,10-dimethyltricyclo[6.2.1.02,7]undeca-2,4,6-triene?
The InChIKey is IPHAULPAKMCNPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O/c1-9-12-8-13(14(9,2)15-3)11-7-5-4-6-10(11)12/h4-7,9,12-13H,8H2,1-3H3.
What are the key properties of 9-methoxy-9,10-dimethyltricyclo[6.2.1.02,7]undeca-2,4,6-triene?
9-methoxy-9,10-dimethyltricyclo[6.2.1.02,7]undeca-2,4,6-triene has a molecular weight of 202.30 g/mol, XLogP of 3.31, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-9,10-dimethyltricyclo[6.2.1.02,7]undeca-2,4,6-triene is sourced from PubChem (CID 575756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).