(6Z)-2-methyl-2,3,4,5,8,9-hexahydrooxecin-10-one

C10H16O2 — CID 13085155

IUPAC(6Z)-2-methyl-2,3,4,5,8,9-hexahydrooxecin-10-one
SMILESCC1CCC/C=C\CCC(=O)O1
InChIInChI=1S/C10H16O2/c1-9-7-5-3-2-4-6-8-10(11)12-9/h2,4,9H,3,5-8H2,1H3/b4-2-
InChIKeyUEQXZLBVNLFTBE-RQOWECAXSA-N
MW168.24 g/mol
LogP2.44
Rot. Bonds

About (6Z)-2-methyl-2,3,4,5,8,9-hexahydrooxecin-10-one

(6Z)-2-methyl-2,3,4,5,8,9-hexahydrooxecin-10-one (PubChem CID 13085155) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (6Z)-2-methyl-2,3,4,5,8,9-hexahydrooxecin-10-one.

Molecular Properties

Compound Name(6Z)-2-methyl-2,3,4,5,8,9-hexahydrooxecin-10-one
PubChem CID13085155
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(6Z)-2-methyl-2,3,4,5,8,9-hexahydrooxecin-10-one
SMILESCC1CCC/C=C\CCC(=O)O1
InChIInChI=1S/C10H16O2/c1-9-7-5-3-2-4-6-8-10(11)12-9/h2,4,9H,3,5-8H2,1H3/b4-2-
InChIKeyUEQXZLBVNLFTBE-RQOWECAXSA-N
XLogP2.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6Z)-2-methyl-2,3,4,5,8,9-hexahydrooxecin-10-one?
The IUPAC name of (6Z)-2-methyl-2,3,4,5,8,9-hexahydrooxecin-10-one (CID 13085155) is (6Z)-2-methyl-2,3,4,5,8,9-hexahydrooxecin-10-one.
What is the SMILES notation for (6Z)-2-methyl-2,3,4,5,8,9-hexahydrooxecin-10-one?
The canonical SMILES for (6Z)-2-methyl-2,3,4,5,8,9-hexahydrooxecin-10-one is CC1CCC/C=C\CCC(=O)O1.
What is the InChIKey of (6Z)-2-methyl-2,3,4,5,8,9-hexahydrooxecin-10-one?
The InChIKey is UEQXZLBVNLFTBE-RQOWECAXSA-N. The full InChI is InChI=1S/C10H16O2/c1-9-7-5-3-2-4-6-8-10(11)12-9/h2,4,9H,3,5-8H2,1H3/b4-2-.
What are the key properties of (6Z)-2-methyl-2,3,4,5,8,9-hexahydrooxecin-10-one?
(6Z)-2-methyl-2,3,4,5,8,9-hexahydrooxecin-10-one has a molecular weight of 168.24 g/mol, XLogP of 2.44, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-2-methyl-2,3,4,5,8,9-hexahydrooxecin-10-one is sourced from PubChem (CID 13085155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).