3-(methoxymethyl)bicyclo[4.3.2]undecane

C13H24O — CID 66596839

IUPAC3-(methoxymethyl)bicyclo[4.3.2]undecane
SMILESCOCC1CCC2CCCC(CC2)C1
InChIInChI=1S/C13H24O/c1-14-10-13-8-6-11-3-2-4-12(9-13)7-5-11/h11-13H,2-10H2,1H3
InChIKeyKQUAPUJTXWSPMZ-UHFFFAOYSA-N
MW196.33 g/mol
LogP3.63
Rot. Bonds2

About 3-(methoxymethyl)bicyclo[4.3.2]undecane

3-(methoxymethyl)bicyclo[4.3.2]undecane (PubChem CID 66596839) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is 3-(methoxymethyl)bicyclo[4.3.2]undecane.

Molecular Properties

Compound Name3-(methoxymethyl)bicyclo[4.3.2]undecane
PubChem CID66596839
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name3-(methoxymethyl)bicyclo[4.3.2]undecane
SMILESCOCC1CCC2CCCC(CC2)C1
InChIInChI=1S/C13H24O/c1-14-10-13-8-6-11-3-2-4-12(9-13)7-5-11/h11-13H,2-10H2,1H3
InChIKeyKQUAPUJTXWSPMZ-UHFFFAOYSA-N
XLogP3.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)bicyclo[4.3.2]undecane?
The IUPAC name of 3-(methoxymethyl)bicyclo[4.3.2]undecane (CID 66596839) is 3-(methoxymethyl)bicyclo[4.3.2]undecane.
What is the SMILES notation for 3-(methoxymethyl)bicyclo[4.3.2]undecane?
The canonical SMILES for 3-(methoxymethyl)bicyclo[4.3.2]undecane is COCC1CCC2CCCC(CC2)C1.
What is the InChIKey of 3-(methoxymethyl)bicyclo[4.3.2]undecane?
The InChIKey is KQUAPUJTXWSPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O/c1-14-10-13-8-6-11-3-2-4-12(9-13)7-5-11/h11-13H,2-10H2,1H3.
What are the key properties of 3-(methoxymethyl)bicyclo[4.3.2]undecane?
3-(methoxymethyl)bicyclo[4.3.2]undecane has a molecular weight of 196.33 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)bicyclo[4.3.2]undecane is sourced from PubChem (CID 66596839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).