1-ethoxybicyclo[4.2.2]deca-7,9-diene

C12H18O — CID 14040624

IUPAC1-ethoxybicyclo[4.2.2]deca-7,9-diene
SMILESCCOC12C=CC(C=C1)CCCC2
InChIInChI=1S/C12H18O/c1-2-13-12-8-4-3-5-11(6-9-12)7-10-12/h6-7,9-11H,2-5,8H2,1H3
InChIKeyFXCPDOUKAXCRBR-UHFFFAOYSA-N
MW178.28 g/mol
LogP3.08
Rot. Bonds2

About 1-ethoxybicyclo[4.2.2]deca-7,9-diene

1-ethoxybicyclo[4.2.2]deca-7,9-diene (PubChem CID 14040624) has the molecular formula C12H18O and a molecular weight of 178.28 g/mol. Its IUPAC name is 1-ethoxybicyclo[4.2.2]deca-7,9-diene.

Molecular Properties

Compound Name1-ethoxybicyclo[4.2.2]deca-7,9-diene
PubChem CID14040624
Molecular FormulaC12H18O
Molecular Weight178.28 g/mol
Exact Mass178.14
IUPAC Name1-ethoxybicyclo[4.2.2]deca-7,9-diene
SMILESCCOC12C=CC(C=C1)CCCC2
InChIInChI=1S/C12H18O/c1-2-13-12-8-4-3-5-11(6-9-12)7-10-12/h6-7,9-11H,2-5,8H2,1H3
InChIKeyFXCPDOUKAXCRBR-UHFFFAOYSA-N
XLogP3.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 53.08
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

1-(1-(Allyloxy)-1-methylethyl)-4-methyl-1-cyclohexene
CID 377298
1-(1-Methoxy-1-methylethyl)-4-methyl-1-cyclohexene
CID 377296
1-Ethoxy-p-menth-2-ene
CID 92004572
(7S)-3,7-dimethyl-7-[(1S)-4-methylcyclohex-3-en-1-yl]-5,6-dihydro-2H-oxepine
CID 162996031
(7R)-3,7-dimethyl-7-[(1R)-4-methylcyclohex-3-en-1-yl]-5,6-dihydro-2H-oxepine
CID 162996033
1-Oxaspiro(5.6)dodec-3-ene
CID 10899061
1-Methoxybicyclo[4.2.2]deca-7,9-diene
CID 14040623
1-[(Propan-2-yl)oxy]bicyclo[4.2.2]deca-7,9-diene
CID 14040625
4-butyl-5,5-dimethyl-3-prop-2-enyl-2H-furan
CID 102371046
[(Z,1S)-1-(2-methylprop-2-enoxy)but-2-enyl]cyclohexane
CID 11858809
(1Z)-3-[(2-methylpropan-2-yl)oxy]cyclooctene
CID 12794158
5-ethenyl-5-octyl-2H-furan
CID 9794304

Frequently Asked Questions

What is the IUPAC name of 1-ethoxybicyclo[4.2.2]deca-7,9-diene?
The IUPAC name of 1-ethoxybicyclo[4.2.2]deca-7,9-diene (CID 14040624) is 1-ethoxybicyclo[4.2.2]deca-7,9-diene.
What is the SMILES notation for 1-ethoxybicyclo[4.2.2]deca-7,9-diene?
The canonical SMILES for 1-ethoxybicyclo[4.2.2]deca-7,9-diene is CCOC12C=CC(C=C1)CCCC2.
What is the InChIKey of 1-ethoxybicyclo[4.2.2]deca-7,9-diene?
The InChIKey is FXCPDOUKAXCRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O/c1-2-13-12-8-4-3-5-11(6-9-12)7-10-12/h6-7,9-11H,2-5,8H2,1H3.
What are the key properties of 1-ethoxybicyclo[4.2.2]deca-7,9-diene?
1-ethoxybicyclo[4.2.2]deca-7,9-diene has a molecular weight of 178.28 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxybicyclo[4.2.2]deca-7,9-diene is sourced from PubChem (CID 14040624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).