3-(methoxymethylidene)bicyclo[3.2.1]octane

C10H16O — CID 154370383

IUPAC3-(methoxymethylidene)bicyclo[3.2.1]octane
SMILESCOC=C1CC2CCC(C1)C2
InChIInChI=1S/C10H16O/c1-11-7-10-5-8-2-3-9(4-8)6-10/h7-9H,2-6H2,1H3
InChIKeyYMELYDATHQYGPV-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.73
Rot. Bonds1

About 3-(methoxymethylidene)bicyclo[3.2.1]octane

3-(methoxymethylidene)bicyclo[3.2.1]octane (PubChem CID 154370383) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 3-(methoxymethylidene)bicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-(methoxymethylidene)bicyclo[3.2.1]octane
PubChem CID154370383
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name3-(methoxymethylidene)bicyclo[3.2.1]octane
SMILESCOC=C1CC2CCC(C1)C2
InChIInChI=1S/C10H16O/c1-11-7-10-5-8-2-3-9(4-8)6-10/h7-9H,2-6H2,1H3
InChIKeyYMELYDATHQYGPV-UHFFFAOYSA-N
XLogP2.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethylidene)bicyclo[3.2.1]octane?
The IUPAC name of 3-(methoxymethylidene)bicyclo[3.2.1]octane (CID 154370383) is 3-(methoxymethylidene)bicyclo[3.2.1]octane.
What is the SMILES notation for 3-(methoxymethylidene)bicyclo[3.2.1]octane?
The canonical SMILES for 3-(methoxymethylidene)bicyclo[3.2.1]octane is COC=C1CC2CCC(C1)C2.
What is the InChIKey of 3-(methoxymethylidene)bicyclo[3.2.1]octane?
The InChIKey is YMELYDATHQYGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-11-7-10-5-8-2-3-9(4-8)6-10/h7-9H,2-6H2,1H3.
What are the key properties of 3-(methoxymethylidene)bicyclo[3.2.1]octane?
3-(methoxymethylidene)bicyclo[3.2.1]octane has a molecular weight of 152.24 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethylidene)bicyclo[3.2.1]octane is sourced from PubChem (CID 154370383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).