5-methoxy-5-methylbicyclo[2.2.1]hept-2-ene

C9H14O — CID 12607821

IUPAC5-methoxy-5-methylbicyclo[2.2.1]hept-2-ene
SMILESCOC1(C)CC2C=CC1C2
InChIInChI=1S/C9H14O/c1-9(10-2)6-7-3-4-8(9)5-7/h3-4,7-8H,5-6H2,1-2H3
InChIKeyDQNCRFRRZSFVLX-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.99
Rot. Bonds1

About 5-methoxy-5-methylbicyclo[2.2.1]hept-2-ene

5-methoxy-5-methylbicyclo[2.2.1]hept-2-ene (PubChem CID 12607821) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 5-methoxy-5-methylbicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5-methoxy-5-methylbicyclo[2.2.1]hept-2-ene
PubChem CID12607821
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name5-methoxy-5-methylbicyclo[2.2.1]hept-2-ene
SMILESCOC1(C)CC2C=CC1C2
InChIInChI=1S/C9H14O/c1-9(10-2)6-7-3-4-8(9)5-7/h3-4,7-8H,5-6H2,1-2H3
InChIKeyDQNCRFRRZSFVLX-UHFFFAOYSA-N
XLogP1.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.99
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 5-methoxy-5-methylbicyclo[2.2.1]hept-2-ene?
The IUPAC name of 5-methoxy-5-methylbicyclo[2.2.1]hept-2-ene (CID 12607821) is 5-methoxy-5-methylbicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5-methoxy-5-methylbicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5-methoxy-5-methylbicyclo[2.2.1]hept-2-ene is COC1(C)CC2C=CC1C2.
What is the InChIKey of 5-methoxy-5-methylbicyclo[2.2.1]hept-2-ene?
The InChIKey is DQNCRFRRZSFVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-9(10-2)6-7-3-4-8(9)5-7/h3-4,7-8H,5-6H2,1-2H3.
What are the key properties of 5-methoxy-5-methylbicyclo[2.2.1]hept-2-ene?
5-methoxy-5-methylbicyclo[2.2.1]hept-2-ene has a molecular weight of 138.21 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-5-methylbicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 12607821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).