hexadeca-1,3,5,7,9,11,13,15-octayne;vanadium

C16HV- — CID 58058429

IUPAChexadeca-1,3,5,7,9,11,13,15-octayne;vanadium
SMILES[C-]#CC#CC#CC#CC#CC#CC#CC#C.[V]
InChIInChI=1S/C16H.V/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2;/h1H;/q-1;
InChIKeyMXLLPNUPMIFWML-UHFFFAOYSA-N
MW244.13 g/mol
LogP0.23
Rot. Bonds

About hexadeca-1,3,5,7,9,11,13,15-octayne;vanadium

hexadeca-1,3,5,7,9,11,13,15-octayne;vanadium (PubChem CID 58058429) has the molecular formula C16HV- and a molecular weight of 244.13 g/mol. Its IUPAC name is hexadeca-1,3,5,7,9,11,13,15-octayne;vanadium.

Molecular Properties

Compound Namehexadeca-1,3,5,7,9,11,13,15-octayne;vanadium
PubChem CID58058429
Molecular FormulaC16HV-
Molecular Weight244.13 g/mol
Exact Mass243.95
IUPAC Namehexadeca-1,3,5,7,9,11,13,15-octayne;vanadium
SMILES[C-]#CC#CC#CC#CC#CC#CC#CC#C.[V]
InChIInChI=1S/C16H.V/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2;/h1H;/q-1;
InChIKeyMXLLPNUPMIFWML-UHFFFAOYSA-N
XLogP0.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.13
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

hexahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105-tripentacontayne
CID 177268390
nonacontahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123,125,127,129,131,133,135,137,139,141,143,145,147,149,151,153,155,157,159,161,163,165,167,169,171,173,175,177,179,181,183,185,187,189-pentanonacontayne
CID 123701595
octatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37-nonadecayne
CID 162424720
hexatetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45-tricosayne
CID 23590172
nonaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89-pentatetracontayne
CID 58354334
N-methyl-N-[(Z)-14-methylhexacos-13-en-1,3,5,7,9,11,15,17,19,21,23,25-dodecayn-13-yl]acetamide
CID 18714099
cyclopentane;nitroxyl anion;octa-1,3,5,7-tetrayne;rhenium;triphenylphosphane
CID 23230124
1-isocyanohexa-1,3,5-triyne
CID 21041903
nonahexaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67-tetratriacontayne
CID 177268470
pentanonaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93-heptatetracontayne
CID 177268403
heptanonacontahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123,125,127,129,131,133,135,137,139,141,143,145,147,149,151,153,155,157,159,161,163,165,167,169,171,173,175,177,179,181,183,185,187,189,191,193,195-octanonacontayne
CID 140801165
tricosahecta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64,66,68,70,72,74,76,78,80,82,84,86,88,90,92,94,96,98,100,102,104,106,108,110,112,114,116,118,120,122-henhexacontaynenitrile
CID 59741399

Frequently Asked Questions

What is the IUPAC name of hexadeca-1,3,5,7,9,11,13,15-octayne;vanadium?
The IUPAC name of hexadeca-1,3,5,7,9,11,13,15-octayne;vanadium (CID 58058429) is hexadeca-1,3,5,7,9,11,13,15-octayne;vanadium.
What is the SMILES notation for hexadeca-1,3,5,7,9,11,13,15-octayne;vanadium?
The canonical SMILES for hexadeca-1,3,5,7,9,11,13,15-octayne;vanadium is [C-]#CC#CC#CC#CC#CC#CC#CC#C.[V].
What is the InChIKey of hexadeca-1,3,5,7,9,11,13,15-octayne;vanadium?
The InChIKey is MXLLPNUPMIFWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H.V/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2;/h1H;/q-1;.
What are the key properties of hexadeca-1,3,5,7,9,11,13,15-octayne;vanadium?
hexadeca-1,3,5,7,9,11,13,15-octayne;vanadium has a molecular weight of 244.13 g/mol, XLogP of 0.23, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexadeca-1,3,5,7,9,11,13,15-octayne;vanadium is sourced from PubChem (CID 58058429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).