dotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecayne

C32H5- — CID 58245186

IUPACdotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecayne
SMILES[CH2-]C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC
InChIInChI=1S/C32H5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h1H2,2H3/q-1
InChIKeyBRSXFUBEWLMNQP-UHFFFAOYSA-N
MW389.39 g/mol
LogP0.89
Rot. Bonds

About dotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecayne

dotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecayne (PubChem CID 58245186) has the molecular formula C32H5- and a molecular weight of 389.39 g/mol. Its IUPAC name is dotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecayne.

Molecular Properties

Compound Namedotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecayne
PubChem CID58245186
Molecular FormulaC32H5-
Molecular Weight389.39 g/mol
Exact Mass389.04
IUPAC Namedotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecayne
SMILES[CH2-]C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC
InChIInChI=1S/C32H5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h1H2,2H3/q-1
InChIKeyBRSXFUBEWLMNQP-UHFFFAOYSA-N
XLogP0.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.39
LogP ≤ 50.89
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

octacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecayne
CID 164732425
icosa-2,4,6,8,10,12,14,16,18-nonayne
CID 22082360
hexatriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34-heptadecayne
CID 155792893
octacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecayne
CID 164732411
tetratetracontahecta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64,66,68,70,72,74,76,78,80,82,84,86,88,90,92,94,96,98,100,102,104,106,108,110,112,114,116,118,120,122,124,126,128,130,132,134,136,138,140,142-henheptacontayne
CID 123192391
octaoctacontahecta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64,66,68,70,72,74,76,78,80,82,84,86,88,90,92,94,96,98,100,102,104,106,108,110,112,114,116,118,120,122,124,126,128,130,132,134,136,138,140,142,144,146,148,150,152,154,156,158,160,162,164,166,168,170,172,174,176,178,180,182,184,186-trinonacontayne
CID 123157218
hexaconta-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-nonacosayne
CID 21343619
cyclopropane;hexaconta-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-nonacosayne
CID 91199081
but-2-yne;vanadium
CID 58531794
pentahecta-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-henpentacontayne
CID 58245632
dodeca-2,4,6,8,10-pentayn-1-ol
CID 153422692
pentaheptaconta-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-heptatriacontayne
CID 140657877

Frequently Asked Questions

What is the IUPAC name of dotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecayne?
The IUPAC name of dotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecayne (CID 58245186) is dotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecayne.
What is the SMILES notation for dotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecayne?
The canonical SMILES for dotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecayne is [CH2-]C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.
What is the InChIKey of dotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecayne?
The InChIKey is BRSXFUBEWLMNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h1H2,2H3/q-1.
What are the key properties of dotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecayne?
dotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecayne has a molecular weight of 389.39 g/mol, XLogP of 0.89, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecayne is sourced from PubChem (CID 58245186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).