29-methylhentriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27-tetradecayne

C32H10 — CID 58205344

IUPAC29-methylhentriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27-tetradecayne
SMILESC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC(C)CC
InChIInChI=1S/C32H10/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32(3)5-2/h1,32H,5H2,2-3H3
InChIKeyDXGOHVPHUAWFLU-UHFFFAOYSA-N
MW394.43 g/mol
LogP1.71
Rot. Bonds1

About 29-methylhentriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27-tetradecayne

29-methylhentriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27-tetradecayne (PubChem CID 58205344) has the molecular formula C32H10 and a molecular weight of 394.43 g/mol. Its IUPAC name is 29-methylhentriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27-tetradecayne.

Molecular Properties

Compound Name29-methylhentriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27-tetradecayne
PubChem CID58205344
Molecular FormulaC32H10
Molecular Weight394.43 g/mol
Exact Mass394.08
IUPAC Name29-methylhentriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27-tetradecayne
SMILESC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC(C)CC
InChIInChI=1S/C32H10/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32(3)5-2/h1,32H,5H2,2-3H3
InChIKeyDXGOHVPHUAWFLU-UHFFFAOYSA-N
XLogP1.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3,4-Dimethylhexa-1,5-diyne
CID 12687479
6-Methylhepta-1,3-diyne
CID 19908673
51,51-Dimethyldopentaconta-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-pentacosayne
CID 20697231
3-Ethylocta-1,4-diyne
CID 22024067
3-Ethylhepta-1,4-diyne
CID 53856492
3-Ethylhexa-1,4-diyne
CID 54278701
14-Methylhexadeca-2,4,6,8,10,12-hexayne
CID 58163483
1-Deuterio-3-ethylhexa-1,4-diyne
CID 58820753
19-Methylhenicosa-1,3,5,7,9,11,13,15,17-nonayne
CID 58841522
8-Methylnona-1,3,5-triyne
CID 59800854
3-Methylnona-1,5-diyne
CID 91151348
4-Methylhepta-1,5-diyne
CID 91178010

Frequently Asked Questions

What is the IUPAC name of 29-methylhentriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27-tetradecayne?
The IUPAC name of 29-methylhentriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27-tetradecayne (CID 58205344) is 29-methylhentriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27-tetradecayne.
What is the SMILES notation for 29-methylhentriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27-tetradecayne?
The canonical SMILES for 29-methylhentriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27-tetradecayne is C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC(C)CC.
What is the InChIKey of 29-methylhentriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27-tetradecayne?
The InChIKey is DXGOHVPHUAWFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H10/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32(3)5-2/h1,32H,5H2,2-3H3.
What are the key properties of 29-methylhentriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27-tetradecayne?
29-methylhentriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27-tetradecayne has a molecular weight of 394.43 g/mol, XLogP of 1.71, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 29-methylhentriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27-tetradecayne is sourced from PubChem (CID 58205344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).