8,12-dimethylicosane-1,20-diol

C22H46O2 — CID 170848864

IUPAC8,12-dimethylicosane-1,20-diol
SMILESCC(CCCCCCCO)CCCC(C)CCCCCCCCO
InChIInChI=1S/C22H46O2/c1-21(15-10-6-3-4-8-12-19-23)17-14-18-22(2)16-11-7-5-9-13-20-24/h21-24H,3-20H2,1-2H3
InChIKeyOFGKMTIGBKLUDU-UHFFFAOYSA-N
MW342.61 g/mol
LogP6.48
Rot. Bonds19

About 8,12-dimethylicosane-1,20-diol

8,12-dimethylicosane-1,20-diol (PubChem CID 170848864) has the molecular formula C22H46O2 and a molecular weight of 342.61 g/mol. Its IUPAC name is 8,12-dimethylicosane-1,20-diol.

Molecular Properties

Compound Name8,12-dimethylicosane-1,20-diol
PubChem CID170848864
Molecular FormulaC22H46O2
Molecular Weight342.61 g/mol
Exact Mass342.35
IUPAC Name8,12-dimethylicosane-1,20-diol
SMILESCC(CCCCCCCO)CCCC(C)CCCCCCCCO
InChIInChI=1S/C22H46O2/c1-21(15-10-6-3-4-8-12-19-23)17-14-18-22(2)16-11-7-5-9-13-20-24/h21-24H,3-20H2,1-2H3
InChIKeyOFGKMTIGBKLUDU-UHFFFAOYSA-N
XLogP6.48
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.61
LogP ≤ 56.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,6,10,15,19,23-hexamethyltetracosane;16-methylheptadecan-1-ol
CID 174818152
3-methyldecane-1,10-diol
CID 22596513
10-methylhexadecan-1-ol
CID 10244159
7-methylpentadecan-1-ol
CID 18427312
6-methylhexadecan-1-ol
CID 22027437
9-methylhexadecan-1-ol
CID 22027455
(6S)-6-methyloctadecan-1-ol
CID 162994676
(7R)-9-bromo-7-methylnonan-1-ol
CID 139766854
(4S,6S)-4,6,9-trimethyloctadecane-1,18-diol
CID 58388501
(5S)-5-methyloctan-1-ol
CID 14902476
(10S)-10-methyldodecan-1-ol
CID 11715372
(7S)-7-methylnonan-1-ol
CID 11105641

Frequently Asked Questions

What is the IUPAC name of 8,12-dimethylicosane-1,20-diol?
The IUPAC name of 8,12-dimethylicosane-1,20-diol (CID 170848864) is 8,12-dimethylicosane-1,20-diol.
What is the SMILES notation for 8,12-dimethylicosane-1,20-diol?
The canonical SMILES for 8,12-dimethylicosane-1,20-diol is CC(CCCCCCCO)CCCC(C)CCCCCCCCO.
What is the InChIKey of 8,12-dimethylicosane-1,20-diol?
The InChIKey is OFGKMTIGBKLUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46O2/c1-21(15-10-6-3-4-8-12-19-23)17-14-18-22(2)16-11-7-5-9-13-20-24/h21-24H,3-20H2,1-2H3.
What are the key properties of 8,12-dimethylicosane-1,20-diol?
8,12-dimethylicosane-1,20-diol has a molecular weight of 342.61 g/mol, XLogP of 6.48, 19 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,12-dimethylicosane-1,20-diol is sourced from PubChem (CID 170848864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).