chlorocopper;1-heptylsulfanylheptane

C14H30ClCuS — CID 10991120

IUPACchlorocopper;1-heptylsulfanylheptane
SMILESCCCCCCCSCCCCCCC.Cl[Cu]
InChIInChI=1S/C14H30S.ClH.Cu/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2;;/h3-14H2,1-2H3;1H;/q;;+1/p-1
InChIKeyHKWLLYKKHNJILK-UHFFFAOYSA-M
MW329.46 g/mol
LogP6.35
Rot. Bonds12

About chlorocopper;1-heptylsulfanylheptane

chlorocopper;1-heptylsulfanylheptane (PubChem CID 10991120) has the molecular formula C14H30ClCuS and a molecular weight of 329.46 g/mol. Its IUPAC name is chlorocopper;1-heptylsulfanylheptane.

Molecular Properties

Compound Namechlorocopper;1-heptylsulfanylheptane
PubChem CID10991120
Molecular FormulaC14H30ClCuS
Molecular Weight329.46 g/mol
Exact Mass328.11
IUPAC Namechlorocopper;1-heptylsulfanylheptane
SMILESCCCCCCCSCCCCCCC.Cl[Cu]
InChIInChI=1S/C14H30S.ClH.Cu/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2;;/h3-14H2,1-2H3;1H;/q;;+1/p-1
InChIKeyHKWLLYKKHNJILK-UHFFFAOYSA-M
XLogP6.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.46
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-octadecylsulfanyloctacosane
CID 87077538
1-hexylsulfanyl-8-pentylsulfanyloctane
CID 167032436
1-nonylsulfanyldodecane
CID 87077738
1-dodecylsulfanylicosane
CID 87077505
1-tetracosylsulfanyloctacosane
CID 87077758
1-hexylsulfanylicosane
CID 87077585
1-hexylsulfanyloctane
CID 15742910
1-hexylsulfanyloctadecane
CID 21424485
1-hexylsulfanyltetradecane
CID 87077491
1-tetracosylsulfanyltetracosane
CID 14647813
1-decylsulfanyldecane;hydrofluoride
CID 174965550
1-(3-hexadecylsulfanylpropylsulfanyl)hexadecane
CID 157137838

Frequently Asked Questions

What is the IUPAC name of chlorocopper;1-heptylsulfanylheptane?
The IUPAC name of chlorocopper;1-heptylsulfanylheptane (CID 10991120) is chlorocopper;1-heptylsulfanylheptane.
What is the SMILES notation for chlorocopper;1-heptylsulfanylheptane?
The canonical SMILES for chlorocopper;1-heptylsulfanylheptane is CCCCCCCSCCCCCCC.Cl[Cu].
What is the InChIKey of chlorocopper;1-heptylsulfanylheptane?
The InChIKey is HKWLLYKKHNJILK-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H30S.ClH.Cu/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2;;/h3-14H2,1-2H3;1H;/q;;+1/p-1.
What are the key properties of chlorocopper;1-heptylsulfanylheptane?
chlorocopper;1-heptylsulfanylheptane has a molecular weight of 329.46 g/mol, XLogP of 6.35, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chlorocopper;1-heptylsulfanylheptane is sourced from PubChem (CID 10991120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).