1,4-dimethyl-9-methylidene-2-oxabicyclo[3.3.1]nonane

C11H18O — CID 5319300

IUPAC1,4-dimethyl-9-methylidene-2-oxabicyclo[3.3.1]nonane
SMILESC=C1C2CCCC1(C)OCC2C
InChIInChI=1S/C11H18O/c1-8-7-12-11(3)6-4-5-10(8)9(11)2/h8,10H,2,4-7H2,1,3H3
InChIKeyHPKUXNWLHMGFBZ-UHFFFAOYSA-N
MW166.26 g/mol
LogP2.77
Rot. Bonds

About 1,4-dimethyl-9-methylidene-2-oxabicyclo[3.3.1]nonane

1,4-dimethyl-9-methylidene-2-oxabicyclo[3.3.1]nonane (PubChem CID 5319300) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 1,4-dimethyl-9-methylidene-2-oxabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name1,4-dimethyl-9-methylidene-2-oxabicyclo[3.3.1]nonane
PubChem CID5319300
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name1,4-dimethyl-9-methylidene-2-oxabicyclo[3.3.1]nonane
SMILESC=C1C2CCCC1(C)OCC2C
InChIInChI=1S/C11H18O/c1-8-7-12-11(3)6-4-5-10(8)9(11)2/h8,10H,2,4-7H2,1,3H3
InChIKeyHPKUXNWLHMGFBZ-UHFFFAOYSA-N
XLogP2.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1,4-dimethyl-9-methylidene-2-oxabicyclo[3.3.1]nonane?
The IUPAC name of 1,4-dimethyl-9-methylidene-2-oxabicyclo[3.3.1]nonane (CID 5319300) is 1,4-dimethyl-9-methylidene-2-oxabicyclo[3.3.1]nonane.
What is the SMILES notation for 1,4-dimethyl-9-methylidene-2-oxabicyclo[3.3.1]nonane?
The canonical SMILES for 1,4-dimethyl-9-methylidene-2-oxabicyclo[3.3.1]nonane is C=C1C2CCCC1(C)OCC2C.
What is the InChIKey of 1,4-dimethyl-9-methylidene-2-oxabicyclo[3.3.1]nonane?
The InChIKey is HPKUXNWLHMGFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-8-7-12-11(3)6-4-5-10(8)9(11)2/h8,10H,2,4-7H2,1,3H3.
What are the key properties of 1,4-dimethyl-9-methylidene-2-oxabicyclo[3.3.1]nonane?
1,4-dimethyl-9-methylidene-2-oxabicyclo[3.3.1]nonane has a molecular weight of 166.26 g/mol, XLogP of 2.77, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-9-methylidene-2-oxabicyclo[3.3.1]nonane is sourced from PubChem (CID 5319300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).