1,4-dichloro-2-iodo-3-[3-(2-methoxyethoxy)propoxy]butane

C10H19Cl2IO3 — CID 103404998

IUPAC1,4-dichloro-2-iodo-3-[3-(2-methoxyethoxy)propoxy]butane
SMILESCOCCOCCCOC(CCl)C(I)CCl
InChIInChI=1S/C10H19Cl2IO3/c1-14-5-6-15-3-2-4-16-10(8-12)9(13)7-11/h9-10H,2-8H2,1H3
InChIKeyFDJCYMFLWDLGNQ-UHFFFAOYSA-N
MW385.07 g/mol
LogP2.71
Rot. Bonds11

About 1,4-dichloro-2-iodo-3-[3-(2-methoxyethoxy)propoxy]butane

1,4-dichloro-2-iodo-3-[3-(2-methoxyethoxy)propoxy]butane (PubChem CID 103404998) has the molecular formula C10H19Cl2IO3 and a molecular weight of 385.07 g/mol. Its IUPAC name is 1,4-dichloro-2-iodo-3-[3-(2-methoxyethoxy)propoxy]butane.

Molecular Properties

Compound Name1,4-dichloro-2-iodo-3-[3-(2-methoxyethoxy)propoxy]butane
PubChem CID103404998
Molecular FormulaC10H19Cl2IO3
Molecular Weight385.07 g/mol
Exact Mass383.98
IUPAC Name1,4-dichloro-2-iodo-3-[3-(2-methoxyethoxy)propoxy]butane
SMILESCOCCOCCCOC(CCl)C(I)CCl
InChIInChI=1S/C10H19Cl2IO3/c1-14-5-6-15-3-2-4-16-10(8-12)9(13)7-11/h9-10H,2-8H2,1H3
InChIKeyFDJCYMFLWDLGNQ-UHFFFAOYSA-N
XLogP2.71
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.07
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Related Compounds

1-Chloro-3-(3-chloro-2-methoxypropoxy)-2-methoxypropane
CID 57016949
1-Chloro-2-(1-chloro-3-methoxypropan-2-yl)oxy-3-methoxypropane
CID 57109764
1-Chloro-2-(2-ethoxyethoxy)butane
CID 88096707
1-Chloro-2-[3-chloro-2-(3-chloro-2-methoxypropoxy)propoxy]butane
CID 90015058
1-Chloro-3-[3-chloro-2-(3-chloro-2-methoxypropoxy)propoxy]butane
CID 90015060
1-Chloro-2-(3-chloro-2-methoxypropoxy)butane
CID 90015412
1-Chloro-3-(3-chloro-2-methoxypropoxy)butane
CID 90015519
2-[[1-Chloro-3-(1-iodoethoxy)propan-2-yl]oxymethyl]oxirane
CID 90243316
[3-(Chloromethyl)-5,6-dimethyl-1,4-dioxan-2-yl]-propan-2-ylidene-lambda3-iodane
CID 141781022
1-Chloro-3-(3-chloro-2-ethoxypropoxy)-2-ethoxypropane
CID 152573323
1-[2-(2-Chloroethoxy)ethoxy]-1-(chloromethyl)propane
CID 3568015
1-{2-[2-(2-Chloroethoxy)ethoxy]ethoxy}-1-(chloromethyl)propane
CID 5079420

Frequently Asked Questions

What is the IUPAC name of 1,4-dichloro-2-iodo-3-[3-(2-methoxyethoxy)propoxy]butane?
The IUPAC name of 1,4-dichloro-2-iodo-3-[3-(2-methoxyethoxy)propoxy]butane (CID 103404998) is 1,4-dichloro-2-iodo-3-[3-(2-methoxyethoxy)propoxy]butane.
What is the SMILES notation for 1,4-dichloro-2-iodo-3-[3-(2-methoxyethoxy)propoxy]butane?
The canonical SMILES for 1,4-dichloro-2-iodo-3-[3-(2-methoxyethoxy)propoxy]butane is COCCOCCCOC(CCl)C(I)CCl.
What is the InChIKey of 1,4-dichloro-2-iodo-3-[3-(2-methoxyethoxy)propoxy]butane?
The InChIKey is FDJCYMFLWDLGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19Cl2IO3/c1-14-5-6-15-3-2-4-16-10(8-12)9(13)7-11/h9-10H,2-8H2,1H3.
What are the key properties of 1,4-dichloro-2-iodo-3-[3-(2-methoxyethoxy)propoxy]butane?
1,4-dichloro-2-iodo-3-[3-(2-methoxyethoxy)propoxy]butane has a molecular weight of 385.07 g/mol, XLogP of 2.71, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dichloro-2-iodo-3-[3-(2-methoxyethoxy)propoxy]butane is sourced from PubChem (CID 103404998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).