(6Z)-9,9-dichloro-2-methyl-3,4,5,8-tetrahydro-2H-oxecin-10-one

C10H14Cl2O2 — CID 131857780

IUPAC(6Z)-9,9-dichloro-2-methyl-3,4,5,8-tetrahydro-2H-oxecin-10-one
SMILESCC1CCC/C=C\CC(Cl)(Cl)C(=O)O1
InChIInChI=1S/C10H14Cl2O2/c1-8-6-4-2-3-5-7-10(11,12)9(13)14-8/h3,5,8H,2,4,6-7H2,1H3/b5-3-
InChIKeySMAKCCNDQNANPD-HYXAFXHYSA-N
MW237.13 g/mol
LogP3.22
Rot. Bonds

About (6Z)-9,9-dichloro-2-methyl-3,4,5,8-tetrahydro-2H-oxecin-10-one

(6Z)-9,9-dichloro-2-methyl-3,4,5,8-tetrahydro-2H-oxecin-10-one (PubChem CID 131857780) has the molecular formula C10H14Cl2O2 and a molecular weight of 237.13 g/mol. Its IUPAC name is (6Z)-9,9-dichloro-2-methyl-3,4,5,8-tetrahydro-2H-oxecin-10-one.

Molecular Properties

Compound Name(6Z)-9,9-dichloro-2-methyl-3,4,5,8-tetrahydro-2H-oxecin-10-one
PubChem CID131857780
Molecular FormulaC10H14Cl2O2
Molecular Weight237.13 g/mol
Exact Mass236.04
IUPAC Name(6Z)-9,9-dichloro-2-methyl-3,4,5,8-tetrahydro-2H-oxecin-10-one
SMILESCC1CCC/C=C\CC(Cl)(Cl)C(=O)O1
InChIInChI=1S/C10H14Cl2O2/c1-8-6-4-2-3-5-7-10(11,12)9(13)14-8/h3,5,8H,2,4,6-7H2,1H3/b5-3-
InChIKeySMAKCCNDQNANPD-HYXAFXHYSA-N
XLogP3.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.13
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (6Z)-9,9-dichloro-2-methyl-3,4,5,8-tetrahydro-2H-oxecin-10-one with MolForge

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Launch Full Analysis

Related Compounds

Smakccndqnanpd-hwkanzrosa-
CID 13085150
propan-2-yl (Z)-2,2-dichloronon-6-enoate
CID 14321783
Propan-2-yl 2,2-dichloropent-4-enoate
CID 135032026
(6E)-9-chloro-2-methyl-2,3,4,5,8,9-hexahydrooxecin-10-one
CID 13085153
2,2,6-trichloro-4-Hexenoic acid ethyl ester
CID 86181322
Cyclohex-2-en-1-yl 2,2-dichloropropanoate
CID 130620376

Frequently Asked Questions

What is the IUPAC name of (6Z)-9,9-dichloro-2-methyl-3,4,5,8-tetrahydro-2H-oxecin-10-one?
The IUPAC name of (6Z)-9,9-dichloro-2-methyl-3,4,5,8-tetrahydro-2H-oxecin-10-one (CID 131857780) is (6Z)-9,9-dichloro-2-methyl-3,4,5,8-tetrahydro-2H-oxecin-10-one.
What is the SMILES notation for (6Z)-9,9-dichloro-2-methyl-3,4,5,8-tetrahydro-2H-oxecin-10-one?
The canonical SMILES for (6Z)-9,9-dichloro-2-methyl-3,4,5,8-tetrahydro-2H-oxecin-10-one is CC1CCC/C=C\CC(Cl)(Cl)C(=O)O1.
What is the InChIKey of (6Z)-9,9-dichloro-2-methyl-3,4,5,8-tetrahydro-2H-oxecin-10-one?
The InChIKey is SMAKCCNDQNANPD-HYXAFXHYSA-N. The full InChI is InChI=1S/C10H14Cl2O2/c1-8-6-4-2-3-5-7-10(11,12)9(13)14-8/h3,5,8H,2,4,6-7H2,1H3/b5-3-.
What are the key properties of (6Z)-9,9-dichloro-2-methyl-3,4,5,8-tetrahydro-2H-oxecin-10-one?
(6Z)-9,9-dichloro-2-methyl-3,4,5,8-tetrahydro-2H-oxecin-10-one has a molecular weight of 237.13 g/mol, XLogP of 3.22, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-9,9-dichloro-2-methyl-3,4,5,8-tetrahydro-2H-oxecin-10-one is sourced from PubChem (CID 131857780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).