2,2-dimethyl-6-methylidene-3-oxabicyclo[3.3.1]nonane

C11H18O — CID 14313116

IUPAC2,2-dimethyl-6-methylidene-3-oxabicyclo[3.3.1]nonane
SMILESC=C1CCC2CC1COC2(C)C
InChIInChI=1S/C11H18O/c1-8-4-5-10-6-9(8)7-12-11(10,2)3/h9-10H,1,4-7H2,2-3H3
InChIKeyGAHYTVVHMDCRSH-UHFFFAOYSA-N
MW166.26 g/mol
LogP2.77
Rot. Bonds

About 2,2-dimethyl-6-methylidene-3-oxabicyclo[3.3.1]nonane

2,2-dimethyl-6-methylidene-3-oxabicyclo[3.3.1]nonane (PubChem CID 14313116) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 2,2-dimethyl-6-methylidene-3-oxabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name2,2-dimethyl-6-methylidene-3-oxabicyclo[3.3.1]nonane
PubChem CID14313116
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name2,2-dimethyl-6-methylidene-3-oxabicyclo[3.3.1]nonane
SMILESC=C1CCC2CC1COC2(C)C
InChIInChI=1S/C11H18O/c1-8-4-5-10-6-9(8)7-12-11(10,2)3/h9-10H,1,4-7H2,2-3H3
InChIKeyGAHYTVVHMDCRSH-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 2,2-dimethyl-6-methylidene-3-oxabicyclo[3.3.1]nonane?
The IUPAC name of 2,2-dimethyl-6-methylidene-3-oxabicyclo[3.3.1]nonane (CID 14313116) is 2,2-dimethyl-6-methylidene-3-oxabicyclo[3.3.1]nonane.
What is the SMILES notation for 2,2-dimethyl-6-methylidene-3-oxabicyclo[3.3.1]nonane?
The canonical SMILES for 2,2-dimethyl-6-methylidene-3-oxabicyclo[3.3.1]nonane is C=C1CCC2CC1COC2(C)C.
What is the InChIKey of 2,2-dimethyl-6-methylidene-3-oxabicyclo[3.3.1]nonane?
The InChIKey is GAHYTVVHMDCRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-8-4-5-10-6-9(8)7-12-11(10,2)3/h9-10H,1,4-7H2,2-3H3.
What are the key properties of 2,2-dimethyl-6-methylidene-3-oxabicyclo[3.3.1]nonane?
2,2-dimethyl-6-methylidene-3-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 2,2-dimethyl-6-methylidene-3-oxabicyclo[3.3.1]nonane is sourced from PubChem (CID 14313116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).