19-methylhenicosa-1,3,5,7,9,11,13,15,17-nonayne

C22H10 — CID 58841522

IUPAC19-methylhenicosa-1,3,5,7,9,11,13,15,17-nonayne
SMILESC#CC#CC#CC#CC#CC#CC#CC#CC#CC(C)CC
InChIInChI=1S/C22H10/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(3)5-2/h1,22H,5H2,2-3H3
InChIKeyYVJFGXXDLHSUBX-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.69
Rot. Bonds1

About 19-methylhenicosa-1,3,5,7,9,11,13,15,17-nonayne

19-methylhenicosa-1,3,5,7,9,11,13,15,17-nonayne (PubChem CID 58841522) has the molecular formula C22H10 and a molecular weight of 274.32 g/mol. Its IUPAC name is 19-methylhenicosa-1,3,5,7,9,11,13,15,17-nonayne.

Molecular Properties

Compound Name19-methylhenicosa-1,3,5,7,9,11,13,15,17-nonayne
PubChem CID58841522
Molecular FormulaC22H10
Molecular Weight274.32 g/mol
Exact Mass274.08
IUPAC Name19-methylhenicosa-1,3,5,7,9,11,13,15,17-nonayne
SMILESC#CC#CC#CC#CC#CC#CC#CC#CC#CC(C)CC
InChIInChI=1S/C22H10/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(3)5-2/h1,22H,5H2,2-3H3
InChIKeyYVJFGXXDLHSUBX-UHFFFAOYSA-N
XLogP1.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.69
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

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CID 136704
4-Methyl-1-pentyne
CID 138948
6-Methyl-3-heptyne
CID 143122
5-Methyl-3-heptyne
CID 521962
3,4-Dimethylhexa-1,5-diyne
CID 12687479
7-Methylocta-1,5-diyne
CID 134995261
3,5-Dimethylhex-1-yne
CID 529271
Ctk0J1899
CID 11159288
(3R)-3-methylpent-1-yne
CID 12375449
6-Methylhepta-1,3-diyne
CID 19908673
3-Ethynylhex-1-yne
CID 20234359
4-Methylhepta-1,6-diyne
CID 20312802

Frequently Asked Questions

What is the IUPAC name of 19-methylhenicosa-1,3,5,7,9,11,13,15,17-nonayne?
The IUPAC name of 19-methylhenicosa-1,3,5,7,9,11,13,15,17-nonayne (CID 58841522) is 19-methylhenicosa-1,3,5,7,9,11,13,15,17-nonayne.
What is the SMILES notation for 19-methylhenicosa-1,3,5,7,9,11,13,15,17-nonayne?
The canonical SMILES for 19-methylhenicosa-1,3,5,7,9,11,13,15,17-nonayne is C#CC#CC#CC#CC#CC#CC#CC#CC#CC(C)CC.
What is the InChIKey of 19-methylhenicosa-1,3,5,7,9,11,13,15,17-nonayne?
The InChIKey is YVJFGXXDLHSUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H10/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(3)5-2/h1,22H,5H2,2-3H3.
What are the key properties of 19-methylhenicosa-1,3,5,7,9,11,13,15,17-nonayne?
19-methylhenicosa-1,3,5,7,9,11,13,15,17-nonayne has a molecular weight of 274.32 g/mol, XLogP of 1.69, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 19-methylhenicosa-1,3,5,7,9,11,13,15,17-nonayne is sourced from PubChem (CID 58841522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).