dodeca-2,4,6,8,10-pentayn-1-ol

C12H6O — CID 153422692

IUPACdodeca-2,4,6,8,10-pentayn-1-ol
SMILESCC#CC#CC#CC#CC#CCO
InChIInChI=1S/C12H6O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,12H2,1H3
InChIKeyGFSNSAYYYRAOGD-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.02
Rot. Bonds

About dodeca-2,4,6,8,10-pentayn-1-ol

dodeca-2,4,6,8,10-pentayn-1-ol (PubChem CID 153422692) has the molecular formula C12H6O and a molecular weight of 166.18 g/mol. Its IUPAC name is dodeca-2,4,6,8,10-pentayn-1-ol.

Molecular Properties

Compound Namedodeca-2,4,6,8,10-pentayn-1-ol
PubChem CID153422692
Molecular FormulaC12H6O
Molecular Weight166.18 g/mol
Exact Mass166.04
IUPAC Namedodeca-2,4,6,8,10-pentayn-1-ol
SMILESCC#CC#CC#CC#CC#CCO
InChIInChI=1S/C12H6O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,12H2,1H3
InChIKeyGFSNSAYYYRAOGD-UHFFFAOYSA-N
XLogP0.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

hexa-2,4-diyne-1,6-diol;methane
CID 159269770
deca-4,6,8-triyn-1-ol
CID 12000449
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
icosa-2,4,6,8,10,12,14,16,18-nonayne
CID 22082360
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
nona-5,7-diyn-1-ol
CID 13293576
(E)-tridec-4-en-7,9,11-triyn-1-ol
CID 101412524
octadeca-1,3,5,7,10,12,14,16-octayne
CID 59330718
(Z)-dec-2-en-6,8-diyn-1-ol
CID 53344348
but-2-yn-1-ol;prop-2-yn-1-ol
CID 175066022

Frequently Asked Questions

What is the IUPAC name of dodeca-2,4,6,8,10-pentayn-1-ol?
The IUPAC name of dodeca-2,4,6,8,10-pentayn-1-ol (CID 153422692) is dodeca-2,4,6,8,10-pentayn-1-ol.
What is the SMILES notation for dodeca-2,4,6,8,10-pentayn-1-ol?
The canonical SMILES for dodeca-2,4,6,8,10-pentayn-1-ol is CC#CC#CC#CC#CC#CCO.
What is the InChIKey of dodeca-2,4,6,8,10-pentayn-1-ol?
The InChIKey is GFSNSAYYYRAOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,12H2,1H3.
What are the key properties of dodeca-2,4,6,8,10-pentayn-1-ol?
dodeca-2,4,6,8,10-pentayn-1-ol has a molecular weight of 166.18 g/mol, XLogP of 0.02, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dodeca-2,4,6,8,10-pentayn-1-ol is sourced from PubChem (CID 153422692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).