5,6-ditert-butyl-5-ethenoxycyclohexa-1,3-diene;methoxymethane

C18H32O2 — CID 67713557

IUPAC5,6-ditert-butyl-5-ethenoxycyclohexa-1,3-diene;methoxymethane
SMILESC=COC1(C(C)(C)C)C=CC=CC1C(C)(C)C.COC
InChIInChI=1S/C16H26O.C2H6O/c1-8-17-16(15(5,6)7)12-10-9-11-13(16)14(2,3)4;1-3-2/h8-13H,1H2,2-7H3;1-2H3
InChIKeyZWIQWRDUGBMEGO-UHFFFAOYSA-N
MW280.45 g/mol
LogP4.98
Rot. Bonds2

About 5,6-ditert-butyl-5-ethenoxycyclohexa-1,3-diene;methoxymethane

5,6-ditert-butyl-5-ethenoxycyclohexa-1,3-diene;methoxymethane (PubChem CID 67713557) has the molecular formula C18H32O2 and a molecular weight of 280.45 g/mol. Its IUPAC name is 5,6-ditert-butyl-5-ethenoxycyclohexa-1,3-diene;methoxymethane.

Molecular Properties

Compound Name5,6-ditert-butyl-5-ethenoxycyclohexa-1,3-diene;methoxymethane
PubChem CID67713557
Molecular FormulaC18H32O2
Molecular Weight280.45 g/mol
Exact Mass280.24
IUPAC Name5,6-ditert-butyl-5-ethenoxycyclohexa-1,3-diene;methoxymethane
SMILESC=COC1(C(C)(C)C)C=CC=CC1C(C)(C)C.COC
InChIInChI=1S/C16H26O.C2H6O/c1-8-17-16(15(5,6)7)12-10-9-11-13(16)14(2,3)4;1-3-2/h8-13H,1H2,2-7H3;1-2H3
InChIKeyZWIQWRDUGBMEGO-UHFFFAOYSA-N
XLogP4.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.45
LogP ≤ 54.98
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 5,6-ditert-butyl-5-ethenoxycyclohexa-1,3-diene;methoxymethane?
The IUPAC name of 5,6-ditert-butyl-5-ethenoxycyclohexa-1,3-diene;methoxymethane (CID 67713557) is 5,6-ditert-butyl-5-ethenoxycyclohexa-1,3-diene;methoxymethane.
What is the SMILES notation for 5,6-ditert-butyl-5-ethenoxycyclohexa-1,3-diene;methoxymethane?
The canonical SMILES for 5,6-ditert-butyl-5-ethenoxycyclohexa-1,3-diene;methoxymethane is C=COC1(C(C)(C)C)C=CC=CC1C(C)(C)C.COC.
What is the InChIKey of 5,6-ditert-butyl-5-ethenoxycyclohexa-1,3-diene;methoxymethane?
The InChIKey is ZWIQWRDUGBMEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O.C2H6O/c1-8-17-16(15(5,6)7)12-10-9-11-13(16)14(2,3)4;1-3-2/h8-13H,1H2,2-7H3;1-2H3.
What are the key properties of 5,6-ditert-butyl-5-ethenoxycyclohexa-1,3-diene;methoxymethane?
5,6-ditert-butyl-5-ethenoxycyclohexa-1,3-diene;methoxymethane has a molecular weight of 280.45 g/mol, XLogP of 4.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-ditert-butyl-5-ethenoxycyclohexa-1,3-diene;methoxymethane is sourced from PubChem (CID 67713557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).