(5E,9E,13E,17E)-5,9,14,18-tetramethyldocosa-5,9,13,17-tetraen-1,21-diyne

C26H38 — CID 14544610

IUPAC(5E,9E,13E,17E)-5,9,14,18-tetramethyldocosa-5,9,13,17-tetraen-1,21-diyne
SMILESC#CCC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCC#C
InChIInChI=1S/C26H38/c1-7-9-15-23(3)19-13-21-25(5)17-11-12-18-26(6)22-14-20-24(4)16-10-8-2/h1-2,17-20H,9-16,21-22H2,3-6H3/b23-19+,24-20+,25-17+,26-18+
InChIKeyZFMFZTOEMOMUMG-LQEDCYEGSA-N
MW350.59 g/mol
LogP7.94
Rot. Bonds13

About (5E,9E,13E,17E)-5,9,14,18-tetramethyldocosa-5,9,13,17-tetraen-1,21-diyne

(5E,9E,13E,17E)-5,9,14,18-tetramethyldocosa-5,9,13,17-tetraen-1,21-diyne (PubChem CID 14544610) has the molecular formula C26H38 and a molecular weight of 350.59 g/mol. Its IUPAC name is (5E,9E,13E,17E)-5,9,14,18-tetramethyldocosa-5,9,13,17-tetraen-1,21-diyne.

Molecular Properties

Compound Name(5E,9E,13E,17E)-5,9,14,18-tetramethyldocosa-5,9,13,17-tetraen-1,21-diyne
PubChem CID14544610
Molecular FormulaC26H38
Molecular Weight350.59 g/mol
Exact Mass350.30
IUPAC Name(5E,9E,13E,17E)-5,9,14,18-tetramethyldocosa-5,9,13,17-tetraen-1,21-diyne
SMILESC#CCC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCC#C
InChIInChI=1S/C26H38/c1-7-9-15-23(3)19-13-21-25(5)17-11-12-18-26(6)22-14-20-24(4)16-10-8-2/h1-2,17-20H,9-16,21-22H2,3-6H3/b23-19+,24-20+,25-17+,26-18+
InChIKeyZFMFZTOEMOMUMG-LQEDCYEGSA-N
XLogP7.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.59
LogP ≤ 57.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5E,9E,13E,17E)-5,9,14,18-tetramethyldocosa-5,9,13,17-tetraen-1,21-diyne?
The IUPAC name of (5E,9E,13E,17E)-5,9,14,18-tetramethyldocosa-5,9,13,17-tetraen-1,21-diyne (CID 14544610) is (5E,9E,13E,17E)-5,9,14,18-tetramethyldocosa-5,9,13,17-tetraen-1,21-diyne.
What is the SMILES notation for (5E,9E,13E,17E)-5,9,14,18-tetramethyldocosa-5,9,13,17-tetraen-1,21-diyne?
The canonical SMILES for (5E,9E,13E,17E)-5,9,14,18-tetramethyldocosa-5,9,13,17-tetraen-1,21-diyne is C#CCC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCC#C.
What is the InChIKey of (5E,9E,13E,17E)-5,9,14,18-tetramethyldocosa-5,9,13,17-tetraen-1,21-diyne?
The InChIKey is ZFMFZTOEMOMUMG-LQEDCYEGSA-N. The full InChI is InChI=1S/C26H38/c1-7-9-15-23(3)19-13-21-25(5)17-11-12-18-26(6)22-14-20-24(4)16-10-8-2/h1-2,17-20H,9-16,21-22H2,3-6H3/b23-19+,24-20+,25-17+,26-18+.
What are the key properties of (5E,9E,13E,17E)-5,9,14,18-tetramethyldocosa-5,9,13,17-tetraen-1,21-diyne?
(5E,9E,13E,17E)-5,9,14,18-tetramethyldocosa-5,9,13,17-tetraen-1,21-diyne has a molecular weight of 350.59 g/mol, XLogP of 7.94, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,9E,13E,17E)-5,9,14,18-tetramethyldocosa-5,9,13,17-tetraen-1,21-diyne is sourced from PubChem (CID 14544610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).