10-methylicosa-1,2,3,4,5,6,7,8,9-nonaen-11,13,15,17,19-pentayne

C21H6 — CID 162038779

IUPAC10-methylicosa-1,2,3,4,5,6,7,8,9-nonaen-11,13,15,17,19-pentayne
SMILESC#CC#CC#CC#CC#CC(C)=C=C=C=C=C=C=C=C=C
InChIInChI=1S/C21H6/c1-4-6-8-10-12-14-16-18-20-21(3)19-17-15-13-11-9-7-5-2/h1H,2H2,3H3
InChIKeyRUJJPQHKUCESQI-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.45
Rot. Bonds

About 10-methylicosa-1,2,3,4,5,6,7,8,9-nonaen-11,13,15,17,19-pentayne

10-methylicosa-1,2,3,4,5,6,7,8,9-nonaen-11,13,15,17,19-pentayne (PubChem CID 162038779) has the molecular formula C21H6 and a molecular weight of 258.28 g/mol. Its IUPAC name is 10-methylicosa-1,2,3,4,5,6,7,8,9-nonaen-11,13,15,17,19-pentayne.

Molecular Properties

Compound Name10-methylicosa-1,2,3,4,5,6,7,8,9-nonaen-11,13,15,17,19-pentayne
PubChem CID162038779
Molecular FormulaC21H6
Molecular Weight258.28 g/mol
Exact Mass258.05
IUPAC Name10-methylicosa-1,2,3,4,5,6,7,8,9-nonaen-11,13,15,17,19-pentayne
SMILESC#CC#CC#CC#CC#CC(C)=C=C=C=C=C=C=C=C=C
InChIInChI=1S/C21H6/c1-4-6-8-10-12-14-16-18-20-21(3)19-17-15-13-11-9-7-5-2/h1H,2H2,3H3
InChIKeyRUJJPQHKUCESQI-UHFFFAOYSA-N
XLogP2.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10-methylicosa-1,2,3,4,5,6,7,8,9-nonaen-11,13,15,17,19-pentayne?
The IUPAC name of 10-methylicosa-1,2,3,4,5,6,7,8,9-nonaen-11,13,15,17,19-pentayne (CID 162038779) is 10-methylicosa-1,2,3,4,5,6,7,8,9-nonaen-11,13,15,17,19-pentayne.
What is the SMILES notation for 10-methylicosa-1,2,3,4,5,6,7,8,9-nonaen-11,13,15,17,19-pentayne?
The canonical SMILES for 10-methylicosa-1,2,3,4,5,6,7,8,9-nonaen-11,13,15,17,19-pentayne is C#CC#CC#CC#CC#CC(C)=C=C=C=C=C=C=C=C=C.
What is the InChIKey of 10-methylicosa-1,2,3,4,5,6,7,8,9-nonaen-11,13,15,17,19-pentayne?
The InChIKey is RUJJPQHKUCESQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H6/c1-4-6-8-10-12-14-16-18-20-21(3)19-17-15-13-11-9-7-5-2/h1H,2H2,3H3.
What are the key properties of 10-methylicosa-1,2,3,4,5,6,7,8,9-nonaen-11,13,15,17,19-pentayne?
10-methylicosa-1,2,3,4,5,6,7,8,9-nonaen-11,13,15,17,19-pentayne has a molecular weight of 258.28 g/mol, XLogP of 2.45, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methylicosa-1,2,3,4,5,6,7,8,9-nonaen-11,13,15,17,19-pentayne is sourced from PubChem (CID 162038779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).