2-methoxy-7,7-dimethylbicyclo[2.2.1]hept-2-ene

C10H16O — CID 91748660

IUPAC2-methoxy-7,7-dimethylbicyclo[2.2.1]hept-2-ene
SMILESCOC1=CC2CCC1C2(C)C
InChIInChI=1S/C10H16O/c1-10(2)7-4-5-8(10)9(6-7)11-3/h6-8H,4-5H2,1-3H3
InChIKeyAPTDFJFBANRDGF-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.58
Rot. Bonds1

About 2-methoxy-7,7-dimethylbicyclo[2.2.1]hept-2-ene

2-methoxy-7,7-dimethylbicyclo[2.2.1]hept-2-ene (PubChem CID 91748660) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 2-methoxy-7,7-dimethylbicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name2-methoxy-7,7-dimethylbicyclo[2.2.1]hept-2-ene
PubChem CID91748660
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name2-methoxy-7,7-dimethylbicyclo[2.2.1]hept-2-ene
SMILESCOC1=CC2CCC1C2(C)C
InChIInChI=1S/C10H16O/c1-10(2)7-4-5-8(10)9(6-7)11-3/h6-8H,4-5H2,1-3H3
InChIKeyAPTDFJFBANRDGF-UHFFFAOYSA-N
XLogP2.58
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 ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-7,7-dimethylbicyclo[2.2.1]hept-2-ene?
The IUPAC name of 2-methoxy-7,7-dimethylbicyclo[2.2.1]hept-2-ene (CID 91748660) is 2-methoxy-7,7-dimethylbicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 2-methoxy-7,7-dimethylbicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 2-methoxy-7,7-dimethylbicyclo[2.2.1]hept-2-ene is COC1=CC2CCC1C2(C)C.
What is the InChIKey of 2-methoxy-7,7-dimethylbicyclo[2.2.1]hept-2-ene?
The InChIKey is APTDFJFBANRDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-10(2)7-4-5-8(10)9(6-7)11-3/h6-8H,4-5H2,1-3H3.
What are the key properties of 2-methoxy-7,7-dimethylbicyclo[2.2.1]hept-2-ene?
2-methoxy-7,7-dimethylbicyclo[2.2.1]hept-2-ene has a molecular weight of 152.24 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-7,7-dimethylbicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 91748660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).