iodoethane;pentane

C7H17I — CID 142801861

IUPACiodoethane;pentane
SMILESCCCCC.CCI
InChIInChI=1S/C5H12.C2H5I/c1-3-5-4-2;1-2-3/h3-5H2,1-2H3;2H2,1H3
InChIKeyJFFCSWFBKPISCW-UHFFFAOYSA-N
MW228.12 g/mol
LogP3.64
Rot. Bonds2

About iodoethane;pentane

iodoethane;pentane (PubChem CID 142801861) has the molecular formula C7H17I and a molecular weight of 228.12 g/mol. Its IUPAC name is iodoethane;pentane.

Molecular Properties

Compound Nameiodoethane;pentane
PubChem CID142801861
Molecular FormulaC7H17I
Molecular Weight228.12 g/mol
Exact Mass228.04
IUPAC Nameiodoethane;pentane
SMILESCCCCC.CCI
InChIInChI=1S/C5H12.C2H5I/c1-3-5-4-2;1-2-3/h3-5H2,1-2H3;2H2,1H3
InChIKeyJFFCSWFBKPISCW-UHFFFAOYSA-N
XLogP3.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.12
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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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methane;molecular iodine;pentane
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pentane;rhodium
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CID 159411255
CID 159411255
pentane;propane
CID 91422342
hexadecakis(pentane);dihydrate
CID 173099119
zinc pentane
CID 19065630
CID 157215984
CID 157215984
pentane;stannane
CID 173279416
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CID 10855737
calcium;pentane;dichloride
CID 174907743

Frequently Asked Questions

What is the IUPAC name of iodoethane;pentane?
The IUPAC name of iodoethane;pentane (CID 142801861) is iodoethane;pentane.
What is the SMILES notation for iodoethane;pentane?
The canonical SMILES for iodoethane;pentane is CCCCC.CCI.
What is the InChIKey of iodoethane;pentane?
The InChIKey is JFFCSWFBKPISCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12.C2H5I/c1-3-5-4-2;1-2-3/h3-5H2,1-2H3;2H2,1H3.
What are the key properties of iodoethane;pentane?
iodoethane;pentane has a molecular weight of 228.12 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for iodoethane;pentane is sourced from PubChem (CID 142801861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).