2-(1,4-dichloro-3-iodobutan-2-yl)oxyethoxycyclobutane

C10H17Cl2IO2 — CID 165493512

IUPAC2-(1,4-dichloro-3-iodobutan-2-yl)oxyethoxycyclobutane
SMILESClCC(I)C(CCl)OCCOC1CCC1
InChIInChI=1S/C10H17Cl2IO2/c11-6-9(13)10(7-12)15-5-4-14-8-2-1-3-8/h8-10H,1-7H2
InChIKeyOFIYDAYZNOFLCJ-UHFFFAOYSA-N
MW367.05 g/mol
LogP3.22
Rot. Bonds8

About 2-(1,4-dichloro-3-iodobutan-2-yl)oxyethoxycyclobutane

2-(1,4-dichloro-3-iodobutan-2-yl)oxyethoxycyclobutane (PubChem CID 165493512) has the molecular formula C10H17Cl2IO2 and a molecular weight of 367.05 g/mol. Its IUPAC name is 2-(1,4-dichloro-3-iodobutan-2-yl)oxyethoxycyclobutane.

Molecular Properties

Compound Name2-(1,4-dichloro-3-iodobutan-2-yl)oxyethoxycyclobutane
PubChem CID165493512
Molecular FormulaC10H17Cl2IO2
Molecular Weight367.05 g/mol
Exact Mass365.97
IUPAC Name2-(1,4-dichloro-3-iodobutan-2-yl)oxyethoxycyclobutane
SMILESClCC(I)C(CCl)OCCOC1CCC1
InChIInChI=1S/C10H17Cl2IO2/c11-6-9(13)10(7-12)15-5-4-14-8-2-1-3-8/h8-10H,1-7H2
InChIKeyOFIYDAYZNOFLCJ-UHFFFAOYSA-N
XLogP3.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.05
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dichloro-3-iodobutan-2-yl)oxyethoxycyclobutane?
The IUPAC name of 2-(1,4-dichloro-3-iodobutan-2-yl)oxyethoxycyclobutane (CID 165493512) is 2-(1,4-dichloro-3-iodobutan-2-yl)oxyethoxycyclobutane.
What is the SMILES notation for 2-(1,4-dichloro-3-iodobutan-2-yl)oxyethoxycyclobutane?
The canonical SMILES for 2-(1,4-dichloro-3-iodobutan-2-yl)oxyethoxycyclobutane is ClCC(I)C(CCl)OCCOC1CCC1.
What is the InChIKey of 2-(1,4-dichloro-3-iodobutan-2-yl)oxyethoxycyclobutane?
The InChIKey is OFIYDAYZNOFLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17Cl2IO2/c11-6-9(13)10(7-12)15-5-4-14-8-2-1-3-8/h8-10H,1-7H2.
What are the key properties of 2-(1,4-dichloro-3-iodobutan-2-yl)oxyethoxycyclobutane?
2-(1,4-dichloro-3-iodobutan-2-yl)oxyethoxycyclobutane has a molecular weight of 367.05 g/mol, XLogP of 3.22, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dichloro-3-iodobutan-2-yl)oxyethoxycyclobutane is sourced from PubChem (CID 165493512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).