hex-1-yne;iodocopper

C6H10CuI — CID 135050034

IUPAChex-1-yne;iodocopper
SMILESC#CCCCC.[Cu]I
InChIInChI=1S/C6H10.Cu.HI/c1-3-5-6-4-2;;/h1H,4-6H2,2H3;;1H/q;+1;/p-1
InChIKeySZLUCHKYEYEPFT-UHFFFAOYSA-M
MW272.60 g/mol
LogP2.69
Rot. Bonds2

About hex-1-yne;iodocopper

hex-1-yne;iodocopper (PubChem CID 135050034) has the molecular formula C6H10CuI and a molecular weight of 272.60 g/mol. Its IUPAC name is hex-1-yne;iodocopper.

Molecular Properties

Compound Namehex-1-yne;iodocopper
PubChem CID135050034
Molecular FormulaC6H10CuI
Molecular Weight272.60 g/mol
Exact Mass271.91
IUPAC Namehex-1-yne;iodocopper
SMILESC#CCCCC.[Cu]I
InChIInChI=1S/C6H10.Cu.HI/c1-3-5-6-4-2;;/h1H,4-6H2,2H3;;1H/q;+1;/p-1
InChIKeySZLUCHKYEYEPFT-UHFFFAOYSA-M
XLogP2.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.60
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

hex-1-yne;1-iodohex-1-yne
CID 162160797
oct-1-yne
CID 19597608
CID 172706336
CID 172706336
bicyclo[2.2.0]hexa-1,3,5-triene;hex-1-yne
CID 174509817
hept-1-yne;nonadeca-6,8-diyne
CID 91221383
but-1-yne;hexane
CID 18785170
11-hexoxyundec-1-yne
CID 89349998
tributyl(hex-5-ynyl)phosphanium bromide
CID 159212276
trideca-1,12-diyne
CID 13119526
heptatriaconta-1,36-diyne
CID 58527209
6-methyldodec-1-yne
CID 123369200
5-propylsulfanylpent-1-yne
CID 87245877

Frequently Asked Questions

What is the IUPAC name of hex-1-yne;iodocopper?
The IUPAC name of hex-1-yne;iodocopper (CID 135050034) is hex-1-yne;iodocopper.
What is the SMILES notation for hex-1-yne;iodocopper?
The canonical SMILES for hex-1-yne;iodocopper is C#CCCCC.[Cu]I.
What is the InChIKey of hex-1-yne;iodocopper?
The InChIKey is SZLUCHKYEYEPFT-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H10.Cu.HI/c1-3-5-6-4-2;;/h1H,4-6H2,2H3;;1H/q;+1;/p-1.
What are the key properties of hex-1-yne;iodocopper?
hex-1-yne;iodocopper has a molecular weight of 272.60 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hex-1-yne;iodocopper is sourced from PubChem (CID 135050034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).