1-iodobutane;2-iodobutane;1-iododecane;1-iodododecane;1-iodohexadecane;1-iodohexane;1-iodooctane;1-iodopentane;hydroiodide

C65H139I9 — CID 173246565

IUPAC1-iodobutane;2-iodobutane;1-iododecane;1-iodododecane;1-iodohexadecane;1-iodohexane;1-iodooctane;1-iodopentane;hydroiodide
SMILESCCC(C)I.CCCCCCCCCCCCCCCCI.CCCCCCCCCCCCI.CCCCCCCCCCI.CCCCCCCCI.CCCCCCI.CCCCCI.CCCCI.I
InChIInChI=1S/C16H33I.C12H25I.C10H21I.C8H17I.C6H13I.C5H11I.2C4H9I.HI/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17;1-2-3-4-5-6-7-8-9-10-11-12-13;1-2-3-4-5-6-7-8-9-10-11;1-2-3-4-5-6-7-8-9;1-2-3-4-5-6-7;1-2-3-4-5-6;1-3-4(2)5;1-2-3-4-5;/h2-16H2,1H3;2-12H2,1H3;2-10H2,1H3;2-8H2,1H3;2-6H2,1H3;2-5H2,1H3;4H,3H2,1-2H3;2-4H2,1H3;1H
InChIKeyAPIUTZUASLRQJE-UHFFFAOYSA-N
MW2062.96 g/mol
LogP31.26
Rot. Bonds48

About 1-iodobutane;2-iodobutane;1-iododecane;1-iodododecane;1-iodohexadecane;1-iodohexane;1-iodooctane;1-iodopentane;hydroiodide

1-iodobutane;2-iodobutane;1-iododecane;1-iodododecane;1-iodohexadecane;1-iodohexane;1-iodooctane;1-iodopentane;hydroiodide (PubChem CID 173246565) has the molecular formula C65H139I9 and a molecular weight of 2062.96 g/mol. Its IUPAC name is 1-iodobutane;2-iodobutane;1-iododecane;1-iodododecane;1-iodohexadecane;1-iodohexane;1-iodooctane;1-iodopentane;hydroiodide.

Molecular Properties

Compound Name1-iodobutane;2-iodobutane;1-iododecane;1-iodododecane;1-iodohexadecane;1-iodohexane;1-iodooctane;1-iodopentane;hydroiodide
PubChem CID173246565
Molecular FormulaC65H139I9
Molecular Weight2062.96 g/mol
Exact Mass2062.23
IUPAC Name1-iodobutane;2-iodobutane;1-iododecane;1-iodododecane;1-iodohexadecane;1-iodohexane;1-iodooctane;1-iodopentane;hydroiodide
SMILESCCC(C)I.CCCCCCCCCCCCCCCCI.CCCCCCCCCCCCI.CCCCCCCCCCI.CCCCCCCCI.CCCCCCI.CCCCCI.CCCCI.I
InChIInChI=1S/C16H33I.C12H25I.C10H21I.C8H17I.C6H13I.C5H11I.2C4H9I.HI/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17;1-2-3-4-5-6-7-8-9-10-11-12-13;1-2-3-4-5-6-7-8-9-10-11;1-2-3-4-5-6-7-8-9;1-2-3-4-5-6-7;1-2-3-4-5-6;1-3-4(2)5;1-2-3-4-5;/h2-16H2,1H3;2-12H2,1H3;2-10H2,1H3;2-8H2,1H3;2-6H2,1H3;2-5H2,1H3;4H,3H2,1-2H3;2-4H2,1H3;1H
InChIKeyAPIUTZUASLRQJE-UHFFFAOYSA-N
XLogP31.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds48
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002062.96
LogP ≤ 531.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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'}

Analyze 1-iodobutane;2-iodobutane;1-iododecane;1-iodododecane;1-iodohexadecane;1-iodohexane;1-iodooctane;1-iodopentane;hydroiodide with MolForge

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Related Compounds

magnesium;hydride;1-iodooctane
CID 173319827
CID 175765895
CID 175765895
1-iodotetradecane;phosphane
CID 88696051
1-iodooctane;phosphane
CID 88789975
1-iodobutane;iodomethane;tris(1-iodopentane);1-iodopropane
CID 159910263
hydroxysilane;1-iodohexane
CID 173047553
7-(4-iodobutyl)tridecane
CID 155905887
1-iodo-4-methyloctadecane
CID 85217133
1,8-diiodononane
CID 168864675
2-iodooctadecane
CID 138596673
decane;trihydroiodide
CID 172732531
hexacosane;hydroiodide
CID 175873194

Frequently Asked Questions

What is the IUPAC name of 1-iodobutane;2-iodobutane;1-iododecane;1-iodododecane;1-iodohexadecane;1-iodohexane;1-iodooctane;1-iodopentane;hydroiodide?
The IUPAC name of 1-iodobutane;2-iodobutane;1-iododecane;1-iodododecane;1-iodohexadecane;1-iodohexane;1-iodooctane;1-iodopentane;hydroiodide (CID 173246565) is 1-iodobutane;2-iodobutane;1-iododecane;1-iodododecane;1-iodohexadecane;1-iodohexane;1-iodooctane;1-iodopentane;hydroiodide.
What is the SMILES notation for 1-iodobutane;2-iodobutane;1-iododecane;1-iodododecane;1-iodohexadecane;1-iodohexane;1-iodooctane;1-iodopentane;hydroiodide?
The canonical SMILES for 1-iodobutane;2-iodobutane;1-iododecane;1-iodododecane;1-iodohexadecane;1-iodohexane;1-iodooctane;1-iodopentane;hydroiodide is CCC(C)I.CCCCCCCCCCCCCCCCI.CCCCCCCCCCCCI.CCCCCCCCCCI.CCCCCCCCI.CCCCCCI.CCCCCI.CCCCI.I.
What is the InChIKey of 1-iodobutane;2-iodobutane;1-iododecane;1-iodododecane;1-iodohexadecane;1-iodohexane;1-iodooctane;1-iodopentane;hydroiodide?
The InChIKey is APIUTZUASLRQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33I.C12H25I.C10H21I.C8H17I.C6H13I.C5H11I.2C4H9I.HI/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17;1-2-3-4-5-6-7-8-9-10-11-12-13;1-2-3-4-5-6-7-8-9-10-11;1-2-3-4-5-6-7-8-9;1-2-3-4-5-6-7;1-2-3-4-5-6;1-3-4(2)5;1-2-3-4-5;/h2-16H2,1H3;2-12H2,1H3;2-10H2,1H3;2-8H2,1H3;2-6H2,1H3;2-5H2,1H3;4H,3H2,1-2H3;2-4H2,1H3;1H.
What are the key properties of 1-iodobutane;2-iodobutane;1-iododecane;1-iodododecane;1-iodohexadecane;1-iodohexane;1-iodooctane;1-iodopentane;hydroiodide?
1-iodobutane;2-iodobutane;1-iododecane;1-iodododecane;1-iodohexadecane;1-iodohexane;1-iodooctane;1-iodopentane;hydroiodide has a molecular weight of 2062.96 g/mol, XLogP of 31.26, 48 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodobutane;2-iodobutane;1-iododecane;1-iodododecane;1-iodohexadecane;1-iodohexane;1-iodooctane;1-iodopentane;hydroiodide is sourced from PubChem (CID 173246565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).