(6E,10E,14E,18E)-2,6,10,19,23-pentamethyltetracosa-2,6,10,14,18,22-hexaene

C29H48 — CID 5352455

IUPAC(6E,10E,14E,18E)-2,6,10,19,23-pentamethyltetracosa-2,6,10,14,18,22-hexaene
SMILESCC(C)=CCC/C(C)=C/CC/C=C/CC/C=C(\C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C29H48/c1-25(2)17-14-21-27(5)19-12-10-8-9-11-13-20-28(6)23-16-24-29(7)22-15-18-26(3)4/h8-9,17-20,24H,10-16,21-23H2,1-7H3/b9-8+,27-19+,28-20+,29-24+
InChIKeyBBCQGYMUMKNTQE-BAIGTOHMSA-N
MW396.70 g/mol
LogP10.21
Rot. Bonds15

About (6E,10E,14E,18E)-2,6,10,19,23-pentamethyltetracosa-2,6,10,14,18,22-hexaene

(6E,10E,14E,18E)-2,6,10,19,23-pentamethyltetracosa-2,6,10,14,18,22-hexaene (PubChem CID 5352455) has the molecular formula C29H48 and a molecular weight of 396.70 g/mol. Its IUPAC name is (6E,10E,14E,18E)-2,6,10,19,23-pentamethyltetracosa-2,6,10,14,18,22-hexaene.

Molecular Properties

Compound Name(6E,10E,14E,18E)-2,6,10,19,23-pentamethyltetracosa-2,6,10,14,18,22-hexaene
PubChem CID5352455
Molecular FormulaC29H48
Molecular Weight396.70 g/mol
Exact Mass396.38
IUPAC Name(6E,10E,14E,18E)-2,6,10,19,23-pentamethyltetracosa-2,6,10,14,18,22-hexaene
SMILESCC(C)=CCC/C(C)=C/CC/C=C/CC/C=C(\C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C29H48/c1-25(2)17-14-21-27(5)19-12-10-8-9-11-13-20-28(6)23-16-24-29(7)22-15-18-26(3)4/h8-9,17-20,24H,10-16,21-23H2,1-7H3/b9-8+,27-19+,28-20+,29-24+
InChIKeyBBCQGYMUMKNTQE-BAIGTOHMSA-N
XLogP10.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.70
LogP ≤ 510.21
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 (6E,10E,14E,18E)-2,6,10,19,23-pentamethyltetracosa-2,6,10,14,18,22-hexaene?
The IUPAC name of (6E,10E,14E,18E)-2,6,10,19,23-pentamethyltetracosa-2,6,10,14,18,22-hexaene (CID 5352455) is (6E,10E,14E,18E)-2,6,10,19,23-pentamethyltetracosa-2,6,10,14,18,22-hexaene.
What is the SMILES notation for (6E,10E,14E,18E)-2,6,10,19,23-pentamethyltetracosa-2,6,10,14,18,22-hexaene?
The canonical SMILES for (6E,10E,14E,18E)-2,6,10,19,23-pentamethyltetracosa-2,6,10,14,18,22-hexaene is CC(C)=CCC/C(C)=C/CC/C=C/CC/C=C(\C)CC/C=C(\C)CCC=C(C)C.
What is the InChIKey of (6E,10E,14E,18E)-2,6,10,19,23-pentamethyltetracosa-2,6,10,14,18,22-hexaene?
The InChIKey is BBCQGYMUMKNTQE-BAIGTOHMSA-N. The full InChI is InChI=1S/C29H48/c1-25(2)17-14-21-27(5)19-12-10-8-9-11-13-20-28(6)23-16-24-29(7)22-15-18-26(3)4/h8-9,17-20,24H,10-16,21-23H2,1-7H3/b9-8+,27-19+,28-20+,29-24+.
What are the key properties of (6E,10E,14E,18E)-2,6,10,19,23-pentamethyltetracosa-2,6,10,14,18,22-hexaene?
(6E,10E,14E,18E)-2,6,10,19,23-pentamethyltetracosa-2,6,10,14,18,22-hexaene has a molecular weight of 396.70 g/mol, XLogP of 10.21, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,10E,14E,18E)-2,6,10,19,23-pentamethyltetracosa-2,6,10,14,18,22-hexaene is sourced from PubChem (CID 5352455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).