3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraen-1-ol

C25H44O — CID 54000506

IUPAC3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraen-1-ol
SMILESCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)CCO
InChIInChI=1S/C25H44O/c1-21(2)11-7-12-22(3)13-8-14-23(4)15-9-16-24(5)17-10-18-25(6)19-20-26/h11,13,15,17,25-26H,7-10,12,14,16,18-20H2,1-6H3
InChIKeyKLGBTYNAYAZPFD-UHFFFAOYSA-N
MW360.63 g/mol
LogP7.93
Rot. Bonds14

About 3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraen-1-ol

3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraen-1-ol (PubChem CID 54000506) has the molecular formula C25H44O and a molecular weight of 360.63 g/mol. Its IUPAC name is 3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraen-1-ol.

Molecular Properties

Compound Name3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraen-1-ol
PubChem CID54000506
Molecular FormulaC25H44O
Molecular Weight360.63 g/mol
Exact Mass360.34
IUPAC Name3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraen-1-ol
SMILESCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)CCO
InChIInChI=1S/C25H44O/c1-21(2)11-7-12-22(3)13-8-14-23(4)15-9-16-24(5)17-10-18-25(6)19-20-26/h11,13,15,17,25-26H,7-10,12,14,16,18-20H2,1-6H3
InChIKeyKLGBTYNAYAZPFD-UHFFFAOYSA-N
XLogP7.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.63
LogP ≤ 57.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraen-1-ol?
The IUPAC name of 3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraen-1-ol (CID 54000506) is 3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraen-1-ol.
What is the SMILES notation for 3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraen-1-ol?
The canonical SMILES for 3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraen-1-ol is CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)CCO.
What is the InChIKey of 3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraen-1-ol?
The InChIKey is KLGBTYNAYAZPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H44O/c1-21(2)11-7-12-22(3)13-8-14-23(4)15-9-16-24(5)17-10-18-25(6)19-20-26/h11,13,15,17,25-26H,7-10,12,14,16,18-20H2,1-6H3.
What are the key properties of 3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraen-1-ol?
3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraen-1-ol has a molecular weight of 360.63 g/mol, XLogP of 7.93, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraen-1-ol is sourced from PubChem (CID 54000506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).