16,18-dimethyldotriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,18,19,20,21,22,23,24,25,26,27,28,29,30,31-nonacosaene

C34H12 — CID 59982954

IUPAC16,18-dimethyldotriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,18,19,20,21,22,23,24,25,26,27,28,29,30,31-nonacosaene
SMILESC=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C(C)CC(C)=C=C=C=C=C=C=C=C=C=C=C=C=C=C
InChIInChI=1S/C34H12/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-34(4)32-33(3)30-28-26-24-22-20-18-16-14-12-10-8-6-2/h1-2,32H2,3-4H3
InChIKeyDAKVGVPPMVLBMH-UHFFFAOYSA-N
MW420.47 g/mol
LogP6.72
Rot. Bonds2

About 16,18-dimethyldotriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,18,19,20,21,22,23,24,25,26,27,28,29,30,31-nonacosaene

16,18-dimethyldotriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,18,19,20,21,22,23,24,25,26,27,28,29,30,31-nonacosaene (PubChem CID 59982954) has the molecular formula C34H12 and a molecular weight of 420.47 g/mol. Its IUPAC name is 16,18-dimethyldotriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,18,19,20,21,22,23,24,25,26,27,28,29,30,31-nonacosaene.

Molecular Properties

Compound Name16,18-dimethyldotriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,18,19,20,21,22,23,24,25,26,27,28,29,30,31-nonacosaene
PubChem CID59982954
Molecular FormulaC34H12
Molecular Weight420.47 g/mol
Exact Mass420.09
IUPAC Name16,18-dimethyldotriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,18,19,20,21,22,23,24,25,26,27,28,29,30,31-nonacosaene
SMILESC=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C(C)CC(C)=C=C=C=C=C=C=C=C=C=C=C=C=C=C
InChIInChI=1S/C34H12/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-34(4)32-33(3)30-28-26-24-22-20-18-16-14-12-10-8-6-2/h1-2,32H2,3-4H3
InChIKeyDAKVGVPPMVLBMH-UHFFFAOYSA-N
XLogP6.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.47
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 16,18-dimethyldotriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,18,19,20,21,22,23,24,25,26,27,28,29,30,31-nonacosaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 16,18-dimethyldotriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,18,19,20,21,22,23,24,25,26,27,28,29,30,31-nonacosaene?
The IUPAC name of 16,18-dimethyldotriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,18,19,20,21,22,23,24,25,26,27,28,29,30,31-nonacosaene (CID 59982954) is 16,18-dimethyldotriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,18,19,20,21,22,23,24,25,26,27,28,29,30,31-nonacosaene.
What is the SMILES notation for 16,18-dimethyldotriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,18,19,20,21,22,23,24,25,26,27,28,29,30,31-nonacosaene?
The canonical SMILES for 16,18-dimethyldotriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,18,19,20,21,22,23,24,25,26,27,28,29,30,31-nonacosaene is C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C(C)CC(C)=C=C=C=C=C=C=C=C=C=C=C=C=C=C.
What is the InChIKey of 16,18-dimethyldotriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,18,19,20,21,22,23,24,25,26,27,28,29,30,31-nonacosaene?
The InChIKey is DAKVGVPPMVLBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H12/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-34(4)32-33(3)30-28-26-24-22-20-18-16-14-12-10-8-6-2/h1-2,32H2,3-4H3.
What are the key properties of 16,18-dimethyldotriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,18,19,20,21,22,23,24,25,26,27,28,29,30,31-nonacosaene?
16,18-dimethyldotriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,18,19,20,21,22,23,24,25,26,27,28,29,30,31-nonacosaene has a molecular weight of 420.47 g/mol, XLogP of 6.72, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 16,18-dimethyldotriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,18,19,20,21,22,23,24,25,26,27,28,29,30,31-nonacosaene is sourced from PubChem (CID 59982954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).