2,6,10,15,19,23,24-heptamethylpentacosa-2,6,10,14,18,22-hexaene

C32H54 — CID 91217083

IUPAC2,6,10,15,19,23,24-heptamethylpentacosa-2,6,10,14,18,22-hexaene
SMILESCC(C)=CCCC(C)=CCCC(C)=CCCC=C(C)CCC=C(C)CCC=C(C)C(C)C
InChIInChI=1S/C32H54/c1-26(2)16-12-19-30(7)22-13-20-28(5)17-10-11-18-29(6)21-14-23-31(8)24-15-25-32(9)27(3)4/h16-18,22-23,25,27H,10-15,19-21,24H2,1-9H3
InChIKeyZZCFZSRQBIPQAH-UHFFFAOYSA-N
MW438.78 g/mol
LogP11.24
Rot. Bonds16

About 2,6,10,15,19,23,24-heptamethylpentacosa-2,6,10,14,18,22-hexaene

2,6,10,15,19,23,24-heptamethylpentacosa-2,6,10,14,18,22-hexaene (PubChem CID 91217083) has the molecular formula C32H54 and a molecular weight of 438.78 g/mol. Its IUPAC name is 2,6,10,15,19,23,24-heptamethylpentacosa-2,6,10,14,18,22-hexaene.

Molecular Properties

Compound Name2,6,10,15,19,23,24-heptamethylpentacosa-2,6,10,14,18,22-hexaene
PubChem CID91217083
Molecular FormulaC32H54
Molecular Weight438.78 g/mol
Exact Mass438.42
IUPAC Name2,6,10,15,19,23,24-heptamethylpentacosa-2,6,10,14,18,22-hexaene
SMILESCC(C)=CCCC(C)=CCCC(C)=CCCC=C(C)CCC=C(C)CCC=C(C)C(C)C
InChIInChI=1S/C32H54/c1-26(2)16-12-19-30(7)22-13-20-28(5)17-10-11-18-29(6)21-14-23-31(8)24-15-25-32(9)27(3)4/h16-18,22-23,25,27H,10-15,19-21,24H2,1-9H3
InChIKeyZZCFZSRQBIPQAH-UHFFFAOYSA-N
XLogP11.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.78
LogP ≤ 511.24
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'}

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Frequently Asked Questions

What is the IUPAC name of 2,6,10,15,19,23,24-heptamethylpentacosa-2,6,10,14,18,22-hexaene?
The IUPAC name of 2,6,10,15,19,23,24-heptamethylpentacosa-2,6,10,14,18,22-hexaene (CID 91217083) is 2,6,10,15,19,23,24-heptamethylpentacosa-2,6,10,14,18,22-hexaene.
What is the SMILES notation for 2,6,10,15,19,23,24-heptamethylpentacosa-2,6,10,14,18,22-hexaene?
The canonical SMILES for 2,6,10,15,19,23,24-heptamethylpentacosa-2,6,10,14,18,22-hexaene is CC(C)=CCCC(C)=CCCC(C)=CCCC=C(C)CCC=C(C)CCC=C(C)C(C)C.
What is the InChIKey of 2,6,10,15,19,23,24-heptamethylpentacosa-2,6,10,14,18,22-hexaene?
The InChIKey is ZZCFZSRQBIPQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H54/c1-26(2)16-12-19-30(7)22-13-20-28(5)17-10-11-18-29(6)21-14-23-31(8)24-15-25-32(9)27(3)4/h16-18,22-23,25,27H,10-15,19-21,24H2,1-9H3.
What are the key properties of 2,6,10,15,19,23,24-heptamethylpentacosa-2,6,10,14,18,22-hexaene?
2,6,10,15,19,23,24-heptamethylpentacosa-2,6,10,14,18,22-hexaene has a molecular weight of 438.78 g/mol, XLogP of 11.24, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,10,15,19,23,24-heptamethylpentacosa-2,6,10,14,18,22-hexaene is sourced from PubChem (CID 91217083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).