6-(methoxymethyl)bicyclo[3.1.0]hexane

C8H14O — CID 147202482

IUPAC6-(methoxymethyl)bicyclo[3.1.0]hexane
SMILESCOCC1C2CCCC21
InChIInChI=1S/C8H14O/c1-9-5-8-6-3-2-4-7(6)8/h6-8H,2-5H2,1H3
InChIKeyCDPGLGSBYLABQC-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.68
Rot. Bonds2

About 6-(methoxymethyl)bicyclo[3.1.0]hexane

6-(methoxymethyl)bicyclo[3.1.0]hexane (PubChem CID 147202482) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 6-(methoxymethyl)bicyclo[3.1.0]hexane.

Molecular Properties

Compound Name6-(methoxymethyl)bicyclo[3.1.0]hexane
PubChem CID147202482
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name6-(methoxymethyl)bicyclo[3.1.0]hexane
SMILESCOCC1C2CCCC21
InChIInChI=1S/C8H14O/c1-9-5-8-6-3-2-4-7(6)8/h6-8H,2-5H2,1H3
InChIKeyCDPGLGSBYLABQC-UHFFFAOYSA-N
XLogP1.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethyl)bicyclo[3.1.0]hexane?
The IUPAC name of 6-(methoxymethyl)bicyclo[3.1.0]hexane (CID 147202482) is 6-(methoxymethyl)bicyclo[3.1.0]hexane.
What is the SMILES notation for 6-(methoxymethyl)bicyclo[3.1.0]hexane?
The canonical SMILES for 6-(methoxymethyl)bicyclo[3.1.0]hexane is COCC1C2CCCC21.
What is the InChIKey of 6-(methoxymethyl)bicyclo[3.1.0]hexane?
The InChIKey is CDPGLGSBYLABQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-9-5-8-6-3-2-4-7(6)8/h6-8H,2-5H2,1H3.
What are the key properties of 6-(methoxymethyl)bicyclo[3.1.0]hexane?
6-(methoxymethyl)bicyclo[3.1.0]hexane has a molecular weight of 126.20 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethyl)bicyclo[3.1.0]hexane is sourced from PubChem (CID 147202482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).