9-(methoxymethyl)bicyclo[6.1.0]nonane

C11H20O — CID 167022191

IUPAC9-(methoxymethyl)bicyclo[6.1.0]nonane
SMILESCOCC1C2CCCCCCC21
InChIInChI=1S/C11H20O/c1-12-8-11-9-6-4-2-3-5-7-10(9)11/h9-11H,2-8H2,1H3
InChIKeyLXAAODJNABVTIS-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.85
Rot. Bonds2

About 9-(methoxymethyl)bicyclo[6.1.0]nonane

9-(methoxymethyl)bicyclo[6.1.0]nonane (PubChem CID 167022191) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 9-(methoxymethyl)bicyclo[6.1.0]nonane.

Molecular Properties

Compound Name9-(methoxymethyl)bicyclo[6.1.0]nonane
PubChem CID167022191
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name9-(methoxymethyl)bicyclo[6.1.0]nonane
SMILESCOCC1C2CCCCCCC21
InChIInChI=1S/C11H20O/c1-12-8-11-9-6-4-2-3-5-7-10(9)11/h9-11H,2-8H2,1H3
InChIKeyLXAAODJNABVTIS-UHFFFAOYSA-N
XLogP2.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9-(methoxymethyl)bicyclo[6.1.0]nonane?
The IUPAC name of 9-(methoxymethyl)bicyclo[6.1.0]nonane (CID 167022191) is 9-(methoxymethyl)bicyclo[6.1.0]nonane.
What is the SMILES notation for 9-(methoxymethyl)bicyclo[6.1.0]nonane?
The canonical SMILES for 9-(methoxymethyl)bicyclo[6.1.0]nonane is COCC1C2CCCCCCC21.
What is the InChIKey of 9-(methoxymethyl)bicyclo[6.1.0]nonane?
The InChIKey is LXAAODJNABVTIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-12-8-11-9-6-4-2-3-5-7-10(9)11/h9-11H,2-8H2,1H3.
What are the key properties of 9-(methoxymethyl)bicyclo[6.1.0]nonane?
9-(methoxymethyl)bicyclo[6.1.0]nonane has a molecular weight of 168.28 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(methoxymethyl)bicyclo[6.1.0]nonane is sourced from PubChem (CID 167022191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).