2,3-bis(ethenoxymethyl)cyclohexa-1,3-diene

C12H16O2 — CID 130217267

IUPAC2,3-bis(ethenoxymethyl)cyclohexa-1,3-diene
SMILESC=COCC1=CCCC=C1COC=C
InChIInChI=1S/C12H16O2/c1-3-13-9-11-7-5-6-8-12(11)10-14-4-2/h3-4,7-8H,1-2,5-6,9-10H2
InChIKeyLXBFRNMNWMCIFZ-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.95
Rot. Bonds6

About 2,3-bis(ethenoxymethyl)cyclohexa-1,3-diene

2,3-bis(ethenoxymethyl)cyclohexa-1,3-diene (PubChem CID 130217267) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 2,3-bis(ethenoxymethyl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name2,3-bis(ethenoxymethyl)cyclohexa-1,3-diene
PubChem CID130217267
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name2,3-bis(ethenoxymethyl)cyclohexa-1,3-diene
SMILESC=COCC1=CCCC=C1COC=C
InChIInChI=1S/C12H16O2/c1-3-13-9-11-7-5-6-8-12(11)10-14-4-2/h3-4,7-8H,1-2,5-6,9-10H2
InChIKeyLXBFRNMNWMCIFZ-UHFFFAOYSA-N
XLogP2.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(ethenoxymethyl)cyclohexa-1,3-diene?
The IUPAC name of 2,3-bis(ethenoxymethyl)cyclohexa-1,3-diene (CID 130217267) is 2,3-bis(ethenoxymethyl)cyclohexa-1,3-diene.
What is the SMILES notation for 2,3-bis(ethenoxymethyl)cyclohexa-1,3-diene?
The canonical SMILES for 2,3-bis(ethenoxymethyl)cyclohexa-1,3-diene is C=COCC1=CCCC=C1COC=C.
What is the InChIKey of 2,3-bis(ethenoxymethyl)cyclohexa-1,3-diene?
The InChIKey is LXBFRNMNWMCIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-3-13-9-11-7-5-6-8-12(11)10-14-4-2/h3-4,7-8H,1-2,5-6,9-10H2.
What are the key properties of 2,3-bis(ethenoxymethyl)cyclohexa-1,3-diene?
2,3-bis(ethenoxymethyl)cyclohexa-1,3-diene has a molecular weight of 192.26 g/mol, XLogP of 2.95, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(ethenoxymethyl)cyclohexa-1,3-diene is sourced from PubChem (CID 130217267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).