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

C10H16O — CID 12607822

IUPAC5-ethoxy-5-methylbicyclo[2.2.1]hept-2-ene
SMILESCCOC1(C)CC2C=CC1C2
InChIInChI=1S/C10H16O/c1-3-11-10(2)7-8-4-5-9(10)6-8/h4-5,8-9H,3,6-7H2,1-2H3
InChIKeyKOSWJYQQMSWJIN-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.38
Rot. Bonds2

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

5-ethoxy-5-methylbicyclo[2.2.1]hept-2-ene (PubChem CID 12607822) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 5-ethoxy-5-methylbicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5-ethoxy-5-methylbicyclo[2.2.1]hept-2-ene
PubChem CID12607822
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name5-ethoxy-5-methylbicyclo[2.2.1]hept-2-ene
SMILESCCOC1(C)CC2C=CC1C2
InChIInChI=1S/C10H16O/c1-3-11-10(2)7-8-4-5-9(10)6-8/h4-5,8-9H,3,6-7H2,1-2H3
InChIKeyKOSWJYQQMSWJIN-UHFFFAOYSA-N
XLogP2.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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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Related Compounds

5-Methoxybicyclo[2.2.1]hept-2-ene
CID 140197
2-Methylbicyclo[2.2.1]hept-5-en-2-ol
CID 548695
7-[(2-Methylpropan-2-yl)oxy]bicyclo[2.2.1]hept-2-ene
CID 12835247
5-Butoxy-2-norbornene
CID 22335856
5-(Cyclohexyloxy)bicyclo[2.2.1]hept-2-ene
CID 22754161
5-Methyl-5-ethoxy-carbonylnorborn-2-ene
CID 129769861
7-Methoxybicyclo[2.2.1]hept-2-ene
CID 139370
5-Butyl-6-(1,1,2-trifluoro-2-methylpropoxy)bicyclo[2.2.1]hept-2-ene
CID 141722107
5-Methyl-6-(1,1,2-trifluoro-2-methylpropoxy)bicyclo[2.2.1]hept-2-ene
CID 141722108
5-[(2-Methylpropan-2-yl)oxymethyl]-6-(trifluoromethoxy)bicyclo[2.2.1]hept-2-ene
CID 141722126
5-Methyl-6-(2,2,3,3,3-pentafluoropropoxy)bicyclo[2.2.1]hept-2-ene
CID 141722129
5-Methoxy-6-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene
CID 141722131

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-5-methylbicyclo[2.2.1]hept-2-ene?
The IUPAC name of 5-ethoxy-5-methylbicyclo[2.2.1]hept-2-ene (CID 12607822) is 5-ethoxy-5-methylbicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5-ethoxy-5-methylbicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5-ethoxy-5-methylbicyclo[2.2.1]hept-2-ene is CCOC1(C)CC2C=CC1C2.
What is the InChIKey of 5-ethoxy-5-methylbicyclo[2.2.1]hept-2-ene?
The InChIKey is KOSWJYQQMSWJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-3-11-10(2)7-8-4-5-9(10)6-8/h4-5,8-9H,3,6-7H2,1-2H3.
What are the key properties of 5-ethoxy-5-methylbicyclo[2.2.1]hept-2-ene?
5-ethoxy-5-methylbicyclo[2.2.1]hept-2-ene has a molecular weight of 152.24 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-5-methylbicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 12607822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).