2-methoxy-3-methylidenebicyclo[3.2.1]octane

C10H16O — CID 13493203

IUPAC2-methoxy-3-methylidenebicyclo[3.2.1]octane
SMILESC=C1CC2CCC(C2)C1OC
InChIInChI=1S/C10H16O/c1-7-5-8-3-4-9(6-8)10(7)11-2/h8-10H,1,3-6H2,2H3
InChIKeyWQAICHOGASXIFD-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.38
Rot. Bonds1

About 2-methoxy-3-methylidenebicyclo[3.2.1]octane

2-methoxy-3-methylidenebicyclo[3.2.1]octane (PubChem CID 13493203) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 2-methoxy-3-methylidenebicyclo[3.2.1]octane.

Molecular Properties

Compound Name2-methoxy-3-methylidenebicyclo[3.2.1]octane
PubChem CID13493203
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name2-methoxy-3-methylidenebicyclo[3.2.1]octane
SMILESC=C1CC2CCC(C2)C1OC
InChIInChI=1S/C10H16O/c1-7-5-8-3-4-9(6-8)10(7)11-2/h8-10H,1,3-6H2,2H3
InChIKeyWQAICHOGASXIFD-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-methylidenebicyclo[3.2.1]octane?
The IUPAC name of 2-methoxy-3-methylidenebicyclo[3.2.1]octane (CID 13493203) is 2-methoxy-3-methylidenebicyclo[3.2.1]octane.
What is the SMILES notation for 2-methoxy-3-methylidenebicyclo[3.2.1]octane?
The canonical SMILES for 2-methoxy-3-methylidenebicyclo[3.2.1]octane is C=C1CC2CCC(C2)C1OC.
What is the InChIKey of 2-methoxy-3-methylidenebicyclo[3.2.1]octane?
The InChIKey is WQAICHOGASXIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-7-5-8-3-4-9(6-8)10(7)11-2/h8-10H,1,3-6H2,2H3.
What are the key properties of 2-methoxy-3-methylidenebicyclo[3.2.1]octane?
2-methoxy-3-methylidenebicyclo[3.2.1]octane has a molecular weight of 152.24 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-methylidenebicyclo[3.2.1]octane is sourced from PubChem (CID 13493203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).