3,7,11,15,19-pentamethyl-1-propan-2-ylsulfonylicosa-2,6,10,14,18-pentaen-1-ol

C28H48O3S — CID 54241424

IUPAC3,7,11,15,19-pentamethyl-1-propan-2-ylsulfonylicosa-2,6,10,14,18-pentaen-1-ol
SMILESCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CC(O)S(=O)(=O)C(C)C
InChIInChI=1S/C28H48O3S/c1-22(2)13-9-14-24(5)15-10-16-25(6)17-11-18-26(7)19-12-20-27(8)21-28(29)32(30,31)23(3)4/h13,15,17,19,21,23,28-29H,9-12,14,16,18,20H2,1-8H3
InChIKeyQQGUWBYBDOSBTG-UHFFFAOYSA-N
MW464.76 g/mol
LogP8.00
Rot. Bonds15

About 3,7,11,15,19-pentamethyl-1-propan-2-ylsulfonylicosa-2,6,10,14,18-pentaen-1-ol

3,7,11,15,19-pentamethyl-1-propan-2-ylsulfonylicosa-2,6,10,14,18-pentaen-1-ol (PubChem CID 54241424) has the molecular formula C28H48O3S and a molecular weight of 464.76 g/mol. Its IUPAC name is 3,7,11,15,19-pentamethyl-1-propan-2-ylsulfonylicosa-2,6,10,14,18-pentaen-1-ol.

Molecular Properties

Compound Name3,7,11,15,19-pentamethyl-1-propan-2-ylsulfonylicosa-2,6,10,14,18-pentaen-1-ol
PubChem CID54241424
Molecular FormulaC28H48O3S
Molecular Weight464.76 g/mol
Exact Mass464.33
IUPAC Name3,7,11,15,19-pentamethyl-1-propan-2-ylsulfonylicosa-2,6,10,14,18-pentaen-1-ol
SMILESCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CC(O)S(=O)(=O)C(C)C
InChIInChI=1S/C28H48O3S/c1-22(2)13-9-14-24(5)15-10-16-25(6)17-11-18-26(7)19-12-20-27(8)21-28(29)32(30,31)23(3)4/h13,15,17,19,21,23,28-29H,9-12,14,16,18,20H2,1-8H3
InChIKeyQQGUWBYBDOSBTG-UHFFFAOYSA-N
XLogP8.00
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.76
LogP ≤ 58.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-pentamethyl-1-propan-2-ylsulfonylicosa-2,6,10,14,18-pentaen-1-ol?
The IUPAC name of 3,7,11,15,19-pentamethyl-1-propan-2-ylsulfonylicosa-2,6,10,14,18-pentaen-1-ol (CID 54241424) is 3,7,11,15,19-pentamethyl-1-propan-2-ylsulfonylicosa-2,6,10,14,18-pentaen-1-ol.
What is the SMILES notation for 3,7,11,15,19-pentamethyl-1-propan-2-ylsulfonylicosa-2,6,10,14,18-pentaen-1-ol?
The canonical SMILES for 3,7,11,15,19-pentamethyl-1-propan-2-ylsulfonylicosa-2,6,10,14,18-pentaen-1-ol is CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CC(O)S(=O)(=O)C(C)C.
What is the InChIKey of 3,7,11,15,19-pentamethyl-1-propan-2-ylsulfonylicosa-2,6,10,14,18-pentaen-1-ol?
The InChIKey is QQGUWBYBDOSBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H48O3S/c1-22(2)13-9-14-24(5)15-10-16-25(6)17-11-18-26(7)19-12-20-27(8)21-28(29)32(30,31)23(3)4/h13,15,17,19,21,23,28-29H,9-12,14,16,18,20H2,1-8H3.
What are the key properties of 3,7,11,15,19-pentamethyl-1-propan-2-ylsulfonylicosa-2,6,10,14,18-pentaen-1-ol?
3,7,11,15,19-pentamethyl-1-propan-2-ylsulfonylicosa-2,6,10,14,18-pentaen-1-ol has a molecular weight of 464.76 g/mol, XLogP of 8.00, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,11,15,19-pentamethyl-1-propan-2-ylsulfonylicosa-2,6,10,14,18-pentaen-1-ol is sourced from PubChem (CID 54241424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).