(8E)-2,9-dimethyl-2,3,4,5,6,7-hexahydrooxecin-10-one

C11H18O2 — CID 14737053

IUPAC(8E)-2,9-dimethyl-2,3,4,5,6,7-hexahydrooxecin-10-one
SMILESC/C1=C\CCCCCC(C)OC1=O
InChIInChI=1S/C11H18O2/c1-9-7-5-3-4-6-8-10(2)13-11(9)12/h7,10H,3-6,8H2,1-2H3/b9-7+
InChIKeyWGJNPYZJJBXAAU-VQHVLOKHSA-N
MW182.26 g/mol
LogP2.83
Rot. Bonds

About (8E)-2,9-dimethyl-2,3,4,5,6,7-hexahydrooxecin-10-one

(8E)-2,9-dimethyl-2,3,4,5,6,7-hexahydrooxecin-10-one (PubChem CID 14737053) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is (8E)-2,9-dimethyl-2,3,4,5,6,7-hexahydrooxecin-10-one.

Molecular Properties

Compound Name(8E)-2,9-dimethyl-2,3,4,5,6,7-hexahydrooxecin-10-one
PubChem CID14737053
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name(8E)-2,9-dimethyl-2,3,4,5,6,7-hexahydrooxecin-10-one
SMILESC/C1=C\CCCCCC(C)OC1=O
InChIInChI=1S/C11H18O2/c1-9-7-5-3-4-6-8-10(2)13-11(9)12/h7,10H,3-6,8H2,1-2H3/b9-7+
InChIKeyWGJNPYZJJBXAAU-VQHVLOKHSA-N
XLogP2.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (8E)-2,9-dimethyl-2,3,4,5,6,7-hexahydrooxecin-10-one?
The IUPAC name of (8E)-2,9-dimethyl-2,3,4,5,6,7-hexahydrooxecin-10-one (CID 14737053) is (8E)-2,9-dimethyl-2,3,4,5,6,7-hexahydrooxecin-10-one.
What is the SMILES notation for (8E)-2,9-dimethyl-2,3,4,5,6,7-hexahydrooxecin-10-one?
The canonical SMILES for (8E)-2,9-dimethyl-2,3,4,5,6,7-hexahydrooxecin-10-one is C/C1=C\CCCCCC(C)OC1=O.
What is the InChIKey of (8E)-2,9-dimethyl-2,3,4,5,6,7-hexahydrooxecin-10-one?
The InChIKey is WGJNPYZJJBXAAU-VQHVLOKHSA-N. The full InChI is InChI=1S/C11H18O2/c1-9-7-5-3-4-6-8-10(2)13-11(9)12/h7,10H,3-6,8H2,1-2H3/b9-7+.
What are the key properties of (8E)-2,9-dimethyl-2,3,4,5,6,7-hexahydrooxecin-10-one?
(8E)-2,9-dimethyl-2,3,4,5,6,7-hexahydrooxecin-10-one has a molecular weight of 182.26 g/mol, XLogP of 2.83, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8E)-2,9-dimethyl-2,3,4,5,6,7-hexahydrooxecin-10-one is sourced from PubChem (CID 14737053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).