carbon monoxide;cobalt;9-ethylsulfanylnon-1-en-6-yne

C17H18Co2O6S — CID 11048940

IUPACcarbon monoxide;cobalt;9-ethylsulfanylnon-1-en-6-yne
SMILESC=CCCCC#CCCSCC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co].[Co]
InChIInChI=1S/C11H18S.6CO.2Co/c1-3-5-6-7-8-9-10-11-12-4-2;6*1-2;;/h3H,1,4-7,10-11H2,2H3;;;;;;;;
InChIKeyWNMGVEXIFQQHLP-UHFFFAOYSA-N
MW468.26 g/mol
LogP3.26
Rot. Bonds6

About carbon monoxide;cobalt;9-ethylsulfanylnon-1-en-6-yne

carbon monoxide;cobalt;9-ethylsulfanylnon-1-en-6-yne (PubChem CID 11048940) has the molecular formula C17H18Co2O6S and a molecular weight of 468.26 g/mol. Its IUPAC name is carbon monoxide;cobalt;9-ethylsulfanylnon-1-en-6-yne.

Molecular Properties

Compound Namecarbon monoxide;cobalt;9-ethylsulfanylnon-1-en-6-yne
PubChem CID11048940
Molecular FormulaC17H18Co2O6S
Molecular Weight468.26 g/mol
Exact Mass467.95
IUPAC Namecarbon monoxide;cobalt;9-ethylsulfanylnon-1-en-6-yne
SMILESC=CCCCC#CCCSCC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co].[Co]
InChIInChI=1S/C11H18S.6CO.2Co/c1-3-5-6-7-8-9-10-11-12-4-2;6*1-2;;/h3H,1,4-7,10-11H2,2H3;;;;;;;;
InChIKeyWNMGVEXIFQQHLP-UHFFFAOYSA-N
XLogP3.26
TPSA119.40 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.26
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

non-1-en-6-yne
CID 56979748
5-(3-ethylsulfanylpropylsulfanyl)pent-1-ene
CID 11820260
1-ethylsulfanylhex-3-yne
CID 134972405
6-ethylsulfanylhex-2-yne
CID 91281812
6-propylsulfanylhex-1-ene
CID 23466654
5-but-2-ynylsulfanylpent-1-ene
CID 130642386
5-bromopent-1-ene;hex-1-yne;undec-1-en-6-yne
CID 161104978
buta-1,3-diene;ethylsulfanylethane
CID 88659093
4-(3-but-3-enylsulfanylpropylsulfanyl)but-1-ene
CID 59551659
5-(2-methylpropylsulfanyl)pent-1-ene
CID 130683764
methyl tetradec-13-en-2,8-diynoate
CID 10944315
4-but-3-enylsulfanylbutanenitrile
CID 126992432

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;cobalt;9-ethylsulfanylnon-1-en-6-yne?
The IUPAC name of carbon monoxide;cobalt;9-ethylsulfanylnon-1-en-6-yne (CID 11048940) is carbon monoxide;cobalt;9-ethylsulfanylnon-1-en-6-yne.
What is the SMILES notation for carbon monoxide;cobalt;9-ethylsulfanylnon-1-en-6-yne?
The canonical SMILES for carbon monoxide;cobalt;9-ethylsulfanylnon-1-en-6-yne is C=CCCCC#CCCSCC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co].[Co].
What is the InChIKey of carbon monoxide;cobalt;9-ethylsulfanylnon-1-en-6-yne?
The InChIKey is WNMGVEXIFQQHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18S.6CO.2Co/c1-3-5-6-7-8-9-10-11-12-4-2;6*1-2;;/h3H,1,4-7,10-11H2,2H3;;;;;;;;.
What are the key properties of carbon monoxide;cobalt;9-ethylsulfanylnon-1-en-6-yne?
carbon monoxide;cobalt;9-ethylsulfanylnon-1-en-6-yne has a molecular weight of 468.26 g/mol, XLogP of 3.26, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;cobalt;9-ethylsulfanylnon-1-en-6-yne is sourced from PubChem (CID 11048940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).