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

C9H15Cl2IO — CID 114772475

IUPAC(1,4-dichloro-3-iodobutan-2-yl)oxycyclopentane
SMILESClCC(I)C(CCl)OC1CCCC1
InChIInChI=1S/C9H15Cl2IO/c10-5-8(12)9(6-11)13-7-3-1-2-4-7/h7-9H,1-6H2
InChIKeyILWKJJOJSMXHAA-UHFFFAOYSA-N
MW337.03 g/mol
LogP3.60
Rot. Bonds5

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

(1,4-dichloro-3-iodobutan-2-yl)oxycyclopentane (PubChem CID 114772475) has the molecular formula C9H15Cl2IO and a molecular weight of 337.03 g/mol. Its IUPAC name is (1,4-dichloro-3-iodobutan-2-yl)oxycyclopentane.

Molecular Properties

Compound Name(1,4-dichloro-3-iodobutan-2-yl)oxycyclopentane
PubChem CID114772475
Molecular FormulaC9H15Cl2IO
Molecular Weight337.03 g/mol
Exact Mass335.95
IUPAC Name(1,4-dichloro-3-iodobutan-2-yl)oxycyclopentane
SMILESClCC(I)C(CCl)OC1CCCC1
InChIInChI=1S/C9H15Cl2IO/c10-5-8(12)9(6-11)13-7-3-1-2-4-7/h7-9H,1-6H2
InChIKeyILWKJJOJSMXHAA-UHFFFAOYSA-N
XLogP3.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.03
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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1-cyclohexyloxypropan-1-ol
CID 22483716
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CID 114774644
3-amino-2-cyclobutyloxy-3-cyclopropylpropan-1-ol
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(1-cyclohexyloxy-2-methylpropoxy)cyclohexane
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1-chloro-2-(1-cyclopentyloxy-2-iodoethyl)benzene
CID 114772493
2-cyclobutyloxy-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 62442194
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CID 114358246

Frequently Asked Questions

What is the IUPAC name of (1,4-dichloro-3-iodobutan-2-yl)oxycyclopentane?
The IUPAC name of (1,4-dichloro-3-iodobutan-2-yl)oxycyclopentane (CID 114772475) is (1,4-dichloro-3-iodobutan-2-yl)oxycyclopentane.
What is the SMILES notation for (1,4-dichloro-3-iodobutan-2-yl)oxycyclopentane?
The canonical SMILES for (1,4-dichloro-3-iodobutan-2-yl)oxycyclopentane is ClCC(I)C(CCl)OC1CCCC1.
What is the InChIKey of (1,4-dichloro-3-iodobutan-2-yl)oxycyclopentane?
The InChIKey is ILWKJJOJSMXHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15Cl2IO/c10-5-8(12)9(6-11)13-7-3-1-2-4-7/h7-9H,1-6H2.
What are the key properties of (1,4-dichloro-3-iodobutan-2-yl)oxycyclopentane?
(1,4-dichloro-3-iodobutan-2-yl)oxycyclopentane has a molecular weight of 337.03 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1,4-dichloro-3-iodobutan-2-yl)oxycyclopentane is sourced from PubChem (CID 114772475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).