2,2,3-trichloro-3-(1-chlorodecyl)oxirane

C12H20Cl4O — CID 151966164

IUPAC2,2,3-trichloro-3-(1-chlorodecyl)oxirane
SMILESCCCCCCCCCC(Cl)C1(Cl)OC1(Cl)Cl
InChIInChI=1S/C12H20Cl4O/c1-2-3-4-5-6-7-8-9-10(13)11(14)12(15,16)17-11/h10H,2-9H2,1H3
InChIKeyTZRYVNCJQXHNMI-UHFFFAOYSA-N
MW322.10 g/mol
LogP5.83
Rot. Bonds9

About 2,2,3-trichloro-3-(1-chlorodecyl)oxirane

2,2,3-trichloro-3-(1-chlorodecyl)oxirane (PubChem CID 151966164) has the molecular formula C12H20Cl4O and a molecular weight of 322.10 g/mol. Its IUPAC name is 2,2,3-trichloro-3-(1-chlorodecyl)oxirane.

Molecular Properties

Compound Name2,2,3-trichloro-3-(1-chlorodecyl)oxirane
PubChem CID151966164
Molecular FormulaC12H20Cl4O
Molecular Weight322.10 g/mol
Exact Mass320.03
IUPAC Name2,2,3-trichloro-3-(1-chlorodecyl)oxirane
SMILESCCCCCCCCCC(Cl)C1(Cl)OC1(Cl)Cl
InChIInChI=1S/C12H20Cl4O/c1-2-3-4-5-6-7-8-9-10(13)11(14)12(15,16)17-11/h10H,2-9H2,1H3
InChIKeyTZRYVNCJQXHNMI-UHFFFAOYSA-N
XLogP5.83
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.10
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

17-chlorotritriacontane
CID 87852962
1,1-dichloroheptane
CID 13184
2-chloro-2,3-dimethyl-3-tridecan-4-yloxirane
CID 141375232
3-chlorohexadecane
CID 63459281
4-chloropentadecane
CID 63459834
azane;2-chloropentadecane
CID 88746937
1-chlorodocosan-1-amine
CID 174773966
3-chlorohenicosane
CID 87067964
4-chlorotridecane
CID 63460920
1-chlorohexadecan-1-ol
CID 87967130
henicosan-11-ylazanium
CID 22645794
heptatriacontan-19-ylazanium
CID 22345110

Frequently Asked Questions

What is the IUPAC name of 2,2,3-trichloro-3-(1-chlorodecyl)oxirane?
The IUPAC name of 2,2,3-trichloro-3-(1-chlorodecyl)oxirane (CID 151966164) is 2,2,3-trichloro-3-(1-chlorodecyl)oxirane.
What is the SMILES notation for 2,2,3-trichloro-3-(1-chlorodecyl)oxirane?
The canonical SMILES for 2,2,3-trichloro-3-(1-chlorodecyl)oxirane is CCCCCCCCCC(Cl)C1(Cl)OC1(Cl)Cl.
What is the InChIKey of 2,2,3-trichloro-3-(1-chlorodecyl)oxirane?
The InChIKey is TZRYVNCJQXHNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20Cl4O/c1-2-3-4-5-6-7-8-9-10(13)11(14)12(15,16)17-11/h10H,2-9H2,1H3.
What are the key properties of 2,2,3-trichloro-3-(1-chlorodecyl)oxirane?
2,2,3-trichloro-3-(1-chlorodecyl)oxirane has a molecular weight of 322.10 g/mol, XLogP of 5.83, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trichloro-3-(1-chlorodecyl)oxirane is sourced from PubChem (CID 151966164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).