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

C9H15Cl2IO2 — CID 165489601

IUPAC2-(1,4-dichloro-3-iodobutan-2-yl)oxyethoxycyclopropane
SMILESClCC(I)C(CCl)OCCOC1CC1
InChIInChI=1S/C9H15Cl2IO2/c10-5-8(12)9(6-11)14-4-3-13-7-1-2-7/h7-9H,1-6H2
InChIKeyOGJUXVQSVYDLRQ-UHFFFAOYSA-N
MW353.03 g/mol
LogP2.83
Rot. Bonds8

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

2-(1,4-dichloro-3-iodobutan-2-yl)oxyethoxycyclopropane (PubChem CID 165489601) has the molecular formula C9H15Cl2IO2 and a molecular weight of 353.03 g/mol. Its IUPAC name is 2-(1,4-dichloro-3-iodobutan-2-yl)oxyethoxycyclopropane.

Molecular Properties

Compound Name2-(1,4-dichloro-3-iodobutan-2-yl)oxyethoxycyclopropane
PubChem CID165489601
Molecular FormulaC9H15Cl2IO2
Molecular Weight353.03 g/mol
Exact Mass351.95
IUPAC Name2-(1,4-dichloro-3-iodobutan-2-yl)oxyethoxycyclopropane
SMILESClCC(I)C(CCl)OCCOC1CC1
InChIInChI=1S/C9H15Cl2IO2/c10-5-8(12)9(6-11)14-4-3-13-7-1-2-7/h7-9H,1-6H2
InChIKeyOGJUXVQSVYDLRQ-UHFFFAOYSA-N
XLogP2.83
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.03
LogP ≤ 52.83
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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Related Compounds

3-[(1,4-Dichloro-3-iodobutan-2-yl)oxy]oxetane
CID 102607708
1,4-Dichloro-2-iodo-3-[2-(3-methoxypropoxy)ethoxy]butane
CID 103180251
1,4-Dichloro-2-iodo-3-[3-(2-methoxyethoxy)propoxy]butane
CID 103404998
1,4-Dichloro-2-[(1-ethoxypropan-2-yl)oxy]-3-iodobutane
CID 103490031
1,4-Dichloro-2-(2-ethoxyethoxy)-3-iodobutane
CID 114772603
1,4-Dichloro-2-iodo-3-[2-(propan-2-yloxy)ethoxy]butane
CID 114773047
1,4-Dichloro-2-iodo-3-(2-methoxyethoxy)butane
CID 114773127
2-(2-Butoxyethoxy)-1,4-dichloro-3-iodobutane
CID 114773276
1,4-Dichloro-2-iodo-3-(2-propoxyethoxy)butane
CID 114774127
1,4-Dichloro-2-iodo-3-[(1-methoxypropan-2-yl)oxy]butane
CID 114774228
1,4-Dichloro-2-iodo-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butane
CID 114775089
1,4-Dichloro-2-iodo-3-[2-(2-methoxyethoxy)ethoxy]butane
CID 114775130

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dichloro-3-iodobutan-2-yl)oxyethoxycyclopropane?
The IUPAC name of 2-(1,4-dichloro-3-iodobutan-2-yl)oxyethoxycyclopropane (CID 165489601) is 2-(1,4-dichloro-3-iodobutan-2-yl)oxyethoxycyclopropane.
What is the SMILES notation for 2-(1,4-dichloro-3-iodobutan-2-yl)oxyethoxycyclopropane?
The canonical SMILES for 2-(1,4-dichloro-3-iodobutan-2-yl)oxyethoxycyclopropane is ClCC(I)C(CCl)OCCOC1CC1.
What is the InChIKey of 2-(1,4-dichloro-3-iodobutan-2-yl)oxyethoxycyclopropane?
The InChIKey is OGJUXVQSVYDLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15Cl2IO2/c10-5-8(12)9(6-11)14-4-3-13-7-1-2-7/h7-9H,1-6H2.
What are the key properties of 2-(1,4-dichloro-3-iodobutan-2-yl)oxyethoxycyclopropane?
2-(1,4-dichloro-3-iodobutan-2-yl)oxyethoxycyclopropane has a molecular weight of 353.03 g/mol, XLogP of 2.83, 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)oxyethoxycyclopropane is sourced from PubChem (CID 165489601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).