(1R,5R)-2,6-dimethyl-8-methylidene-3-oxabicyclo[3.3.1]nonane

C11H18O — CID 42648527

IUPAC(1R,5R)-2,6-dimethyl-8-methylidene-3-oxabicyclo[3.3.1]nonane
SMILESC=C1CC(C)[C@@H]2COC(C)[C@@H]1C2
InChIInChI=1S/C11H18O/c1-7-4-8(2)11-5-10(7)6-12-9(11)3/h7,9-11H,2,4-6H2,1,3H3/t7?,9?,10-,11+/m0/s1
InChIKeyCHLVZIDTMFMLMP-BHOWOBCZSA-N
MW166.26 g/mol
LogP2.62
Rot. Bonds

About (1R,5R)-2,6-dimethyl-8-methylidene-3-oxabicyclo[3.3.1]nonane

(1R,5R)-2,6-dimethyl-8-methylidene-3-oxabicyclo[3.3.1]nonane (PubChem CID 42648527) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is (1R,5R)-2,6-dimethyl-8-methylidene-3-oxabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name(1R,5R)-2,6-dimethyl-8-methylidene-3-oxabicyclo[3.3.1]nonane
PubChem CID42648527
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name(1R,5R)-2,6-dimethyl-8-methylidene-3-oxabicyclo[3.3.1]nonane
SMILESC=C1CC(C)[C@@H]2COC(C)[C@@H]1C2
InChIInChI=1S/C11H18O/c1-7-4-8(2)11-5-10(7)6-12-9(11)3/h7,9-11H,2,4-6H2,1,3H3/t7?,9?,10-,11+/m0/s1
InChIKeyCHLVZIDTMFMLMP-BHOWOBCZSA-N
XLogP2.62
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 ≤ 52.62
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 (1R,5R)-2,6-dimethyl-8-methylidene-3-oxabicyclo[3.3.1]nonane?
The IUPAC name of (1R,5R)-2,6-dimethyl-8-methylidene-3-oxabicyclo[3.3.1]nonane (CID 42648527) is (1R,5R)-2,6-dimethyl-8-methylidene-3-oxabicyclo[3.3.1]nonane.
What is the SMILES notation for (1R,5R)-2,6-dimethyl-8-methylidene-3-oxabicyclo[3.3.1]nonane?
The canonical SMILES for (1R,5R)-2,6-dimethyl-8-methylidene-3-oxabicyclo[3.3.1]nonane is C=C1CC(C)[C@@H]2COC(C)[C@@H]1C2.
What is the InChIKey of (1R,5R)-2,6-dimethyl-8-methylidene-3-oxabicyclo[3.3.1]nonane?
The InChIKey is CHLVZIDTMFMLMP-BHOWOBCZSA-N. The full InChI is InChI=1S/C11H18O/c1-7-4-8(2)11-5-10(7)6-12-9(11)3/h7,9-11H,2,4-6H2,1,3H3/t7?,9?,10-,11+/m0/s1.
What are the key properties of (1R,5R)-2,6-dimethyl-8-methylidene-3-oxabicyclo[3.3.1]nonane?
(1R,5R)-2,6-dimethyl-8-methylidene-3-oxabicyclo[3.3.1]nonane has a molecular weight of 166.26 g/mol, XLogP of 2.62, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-2,6-dimethyl-8-methylidene-3-oxabicyclo[3.3.1]nonane is sourced from PubChem (CID 42648527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).