2,5,9,10,10,14,15,15-octamethylhexadecan-5-ol

C24H50O — CID 129191195

IUPAC2,5,9,10,10,14,15,15-octamethylhexadecan-5-ol
SMILESCC(C)CCC(C)(O)CCCC(C)C(C)(C)CCCC(C)C(C)(C)C
InChIInChI=1S/C24H50O/c1-19(2)15-18-24(10,25)17-12-14-21(4)23(8,9)16-11-13-20(3)22(5,6)7/h19-21,25H,11-18H2,1-10H3
InChIKeyGGPMFRNGEWJUTJ-UHFFFAOYSA-N
MW354.66 g/mol
LogP7.86
Rot. Bonds12

About 2,5,9,10,10,14,15,15-octamethylhexadecan-5-ol

2,5,9,10,10,14,15,15-octamethylhexadecan-5-ol (PubChem CID 129191195) has the molecular formula C24H50O and a molecular weight of 354.66 g/mol. Its IUPAC name is 2,5,9,10,10,14,15,15-octamethylhexadecan-5-ol.

Molecular Properties

Compound Name2,5,9,10,10,14,15,15-octamethylhexadecan-5-ol
PubChem CID129191195
Molecular FormulaC24H50O
Molecular Weight354.66 g/mol
Exact Mass354.39
IUPAC Name2,5,9,10,10,14,15,15-octamethylhexadecan-5-ol
SMILESCC(C)CCC(C)(O)CCCC(C)C(C)(C)CCCC(C)C(C)(C)C
InChIInChI=1S/C24H50O/c1-19(2)15-18-24(10,25)17-12-14-21(4)23(8,9)16-11-13-20(3)22(5,6)7/h19-21,25H,11-18H2,1-10H3
InChIKeyGGPMFRNGEWJUTJ-UHFFFAOYSA-N
XLogP7.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.66
LogP ≤ 57.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,5,9,10,10,14,15,15-octamethylhexadecan-5-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,5,9,10,10,14,15,15-octamethylhexadecan-5-ol?
The IUPAC name of 2,5,9,10,10,14,15,15-octamethylhexadecan-5-ol (CID 129191195) is 2,5,9,10,10,14,15,15-octamethylhexadecan-5-ol.
What is the SMILES notation for 2,5,9,10,10,14,15,15-octamethylhexadecan-5-ol?
The canonical SMILES for 2,5,9,10,10,14,15,15-octamethylhexadecan-5-ol is CC(C)CCC(C)(O)CCCC(C)C(C)(C)CCCC(C)C(C)(C)C.
What is the InChIKey of 2,5,9,10,10,14,15,15-octamethylhexadecan-5-ol?
The InChIKey is GGPMFRNGEWJUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50O/c1-19(2)15-18-24(10,25)17-12-14-21(4)23(8,9)16-11-13-20(3)22(5,6)7/h19-21,25H,11-18H2,1-10H3.
What are the key properties of 2,5,9,10,10,14,15,15-octamethylhexadecan-5-ol?
2,5,9,10,10,14,15,15-octamethylhexadecan-5-ol has a molecular weight of 354.66 g/mol, XLogP of 7.86, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,9,10,10,14,15,15-octamethylhexadecan-5-ol is sourced from PubChem (CID 129191195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).