(E)-2,6,10,15,19,23-hexamethyltetracos-7-ene

C30H60 — CID 6437646

IUPAC(E)-2,6,10,15,19,23-hexamethyltetracos-7-ene
SMILESCC(C)CCCC(C)/C=C/CC(C)CCCCC(C)CCCC(C)CCCC(C)C
InChIInChI=1S/C30H60/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h13,23,25-30H,9-12,14-22,24H2,1-8H3/b23-13+
InChIKeyWTFIBNFIISRGHJ-YDZHTSKRSA-N
MW420.81 g/mol
LogP10.86
Rot. Bonds20

About (E)-2,6,10,15,19,23-hexamethyltetracos-7-ene

(E)-2,6,10,15,19,23-hexamethyltetracos-7-ene (PubChem CID 6437646) has the molecular formula C30H60 and a molecular weight of 420.81 g/mol. Its IUPAC name is (E)-2,6,10,15,19,23-hexamethyltetracos-7-ene.

Molecular Properties

Compound Name(E)-2,6,10,15,19,23-hexamethyltetracos-7-ene
PubChem CID6437646
Molecular FormulaC30H60
Molecular Weight420.81 g/mol
Exact Mass420.47
IUPAC Name(E)-2,6,10,15,19,23-hexamethyltetracos-7-ene
SMILESCC(C)CCCC(C)/C=C/CC(C)CCCCC(C)CCCC(C)CCCC(C)C
InChIInChI=1S/C30H60/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h13,23,25-30H,9-12,14-22,24H2,1-8H3/b23-13+
InChIKeyWTFIBNFIISRGHJ-YDZHTSKRSA-N
XLogP10.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds20
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.81
LogP ≤ 510.86
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 (E)-2,6,10,15,19,23-hexamethyltetracos-7-ene?
The IUPAC name of (E)-2,6,10,15,19,23-hexamethyltetracos-7-ene (CID 6437646) is (E)-2,6,10,15,19,23-hexamethyltetracos-7-ene.
What is the SMILES notation for (E)-2,6,10,15,19,23-hexamethyltetracos-7-ene?
The canonical SMILES for (E)-2,6,10,15,19,23-hexamethyltetracos-7-ene is CC(C)CCCC(C)/C=C/CC(C)CCCCC(C)CCCC(C)CCCC(C)C.
What is the InChIKey of (E)-2,6,10,15,19,23-hexamethyltetracos-7-ene?
The InChIKey is WTFIBNFIISRGHJ-YDZHTSKRSA-N. The full InChI is InChI=1S/C30H60/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h13,23,25-30H,9-12,14-22,24H2,1-8H3/b23-13+.
What are the key properties of (E)-2,6,10,15,19,23-hexamethyltetracos-7-ene?
(E)-2,6,10,15,19,23-hexamethyltetracos-7-ene has a molecular weight of 420.81 g/mol, XLogP of 10.86, 20 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,6,10,15,19,23-hexamethyltetracos-7-ene is sourced from PubChem (CID 6437646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).