9-(methoxymethyl)bicyclo[6.1.0]non-4-yne

C11H16O — CID 89136689

IUPAC9-(methoxymethyl)bicyclo[6.1.0]non-4-yne
SMILESCOCC1C2CCC#CCCC21
InChIInChI=1S/C11H16O/c1-12-8-11-9-6-4-2-3-5-7-10(9)11/h9-11H,4-8H2,1H3
InChIKeyJGEKHDMSKLMAFB-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.07
Rot. Bonds2

About 9-(methoxymethyl)bicyclo[6.1.0]non-4-yne

9-(methoxymethyl)bicyclo[6.1.0]non-4-yne (PubChem CID 89136689) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is 9-(methoxymethyl)bicyclo[6.1.0]non-4-yne.

Molecular Properties

Compound Name9-(methoxymethyl)bicyclo[6.1.0]non-4-yne
PubChem CID89136689
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name9-(methoxymethyl)bicyclo[6.1.0]non-4-yne
SMILESCOCC1C2CCC#CCCC21
InChIInChI=1S/C11H16O/c1-12-8-11-9-6-4-2-3-5-7-10(9)11/h9-11H,4-8H2,1H3
InChIKeyJGEKHDMSKLMAFB-UHFFFAOYSA-N
XLogP2.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-(methoxymethyl)bicyclo[6.1.0]non-4-yne?
The IUPAC name of 9-(methoxymethyl)bicyclo[6.1.0]non-4-yne (CID 89136689) is 9-(methoxymethyl)bicyclo[6.1.0]non-4-yne.
What is the SMILES notation for 9-(methoxymethyl)bicyclo[6.1.0]non-4-yne?
The canonical SMILES for 9-(methoxymethyl)bicyclo[6.1.0]non-4-yne is COCC1C2CCC#CCCC21.
What is the InChIKey of 9-(methoxymethyl)bicyclo[6.1.0]non-4-yne?
The InChIKey is JGEKHDMSKLMAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O/c1-12-8-11-9-6-4-2-3-5-7-10(9)11/h9-11H,4-8H2,1H3.
What are the key properties of 9-(methoxymethyl)bicyclo[6.1.0]non-4-yne?
9-(methoxymethyl)bicyclo[6.1.0]non-4-yne has a molecular weight of 164.25 g/mol, XLogP of 2.07, 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]non-4-yne is sourced from PubChem (CID 89136689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).