(9Z)-10-ethenyl-3,4,5,6,7,8-hexahydro-2H-oxecine

C11H18O — CID 177457418

IUPAC(9Z)-10-ethenyl-3,4,5,6,7,8-hexahydro-2H-oxecine
SMILESC=C/C1=C/CCCCCCCO1
InChIInChI=1S/C11H18O/c1-2-11-9-7-5-3-4-6-8-10-12-11/h2,9H,1,3-8,10H2/b11-9-
InChIKeyUVVMIYZJUZKNRJ-LUAWRHEFSA-N
MW166.26 g/mol
LogP3.43
Rot. Bonds1

About (9Z)-10-ethenyl-3,4,5,6,7,8-hexahydro-2H-oxecine

(9Z)-10-ethenyl-3,4,5,6,7,8-hexahydro-2H-oxecine (PubChem CID 177457418) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is (9Z)-10-ethenyl-3,4,5,6,7,8-hexahydro-2H-oxecine.

Molecular Properties

Compound Name(9Z)-10-ethenyl-3,4,5,6,7,8-hexahydro-2H-oxecine
PubChem CID177457418
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name(9Z)-10-ethenyl-3,4,5,6,7,8-hexahydro-2H-oxecine
SMILESC=C/C1=C/CCCCCCCO1
InChIInChI=1S/C11H18O/c1-2-11-9-7-5-3-4-6-8-10-12-11/h2,9H,1,3-8,10H2/b11-9-
InChIKeyUVVMIYZJUZKNRJ-LUAWRHEFSA-N
XLogP3.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (9Z)-10-ethenyl-3,4,5,6,7,8-hexahydro-2H-oxecine?
The IUPAC name of (9Z)-10-ethenyl-3,4,5,6,7,8-hexahydro-2H-oxecine (CID 177457418) is (9Z)-10-ethenyl-3,4,5,6,7,8-hexahydro-2H-oxecine.
What is the SMILES notation for (9Z)-10-ethenyl-3,4,5,6,7,8-hexahydro-2H-oxecine?
The canonical SMILES for (9Z)-10-ethenyl-3,4,5,6,7,8-hexahydro-2H-oxecine is C=C/C1=C/CCCCCCCO1.
What is the InChIKey of (9Z)-10-ethenyl-3,4,5,6,7,8-hexahydro-2H-oxecine?
The InChIKey is UVVMIYZJUZKNRJ-LUAWRHEFSA-N. The full InChI is InChI=1S/C11H18O/c1-2-11-9-7-5-3-4-6-8-10-12-11/h2,9H,1,3-8,10H2/b11-9-.
What are the key properties of (9Z)-10-ethenyl-3,4,5,6,7,8-hexahydro-2H-oxecine?
(9Z)-10-ethenyl-3,4,5,6,7,8-hexahydro-2H-oxecine has a molecular weight of 166.26 g/mol, XLogP of 3.43, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (9Z)-10-ethenyl-3,4,5,6,7,8-hexahydro-2H-oxecine is sourced from PubChem (CID 177457418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).