2,11-diethyl-2,11-dimethyldodecane-1,12-diol

C18H38O2 — CID 3069683

IUPAC2,11-diethyl-2,11-dimethyldodecane-1,12-diol
SMILESCCC(C)(CO)CCCCCCCCC(C)(CC)CO
InChIInChI=1S/C18H38O2/c1-5-17(3,15-19)13-11-9-7-8-10-12-14-18(4,6-2)16-20/h19-20H,5-16H2,1-4H3
InChIKeyTYLRFGPJTUPMPD-UHFFFAOYSA-N
MW286.50 g/mol
LogP4.92
Rot. Bonds13

About 2,11-diethyl-2,11-dimethyldodecane-1,12-diol

2,11-diethyl-2,11-dimethyldodecane-1,12-diol (PubChem CID 3069683) has the molecular formula C18H38O2 and a molecular weight of 286.50 g/mol. Its IUPAC name is 2,11-diethyl-2,11-dimethyldodecane-1,12-diol.

Molecular Properties

Compound Name2,11-diethyl-2,11-dimethyldodecane-1,12-diol
PubChem CID3069683
Molecular FormulaC18H38O2
Molecular Weight286.50 g/mol
Exact Mass286.29
IUPAC Name2,11-diethyl-2,11-dimethyldodecane-1,12-diol
SMILESCCC(C)(CO)CCCCCCCCC(C)(CC)CO
InChIInChI=1S/C18H38O2/c1-5-17(3,15-19)13-11-9-7-8-10-12-14-18(4,6-2)16-20/h19-20H,5-16H2,1-4H3
InChIKeyTYLRFGPJTUPMPD-UHFFFAOYSA-N
XLogP4.92
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.50
LogP ≤ 54.92
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

2,9-diethyl-2,9-dimethyldecane-1,10-diol
CID 3069679
2-methyl-2-octyltridecan-1-ol
CID 138517447
2-dodecyl-2-methylhexadecan-1-ol
CID 138503707
2-methyl-2-pentylnonan-1-ol
CID 138503898
(2S)-2-ethyl-2-methylbutane-1,4-diol
CID 89138945
2-methyl-2-propyldecan-1-ol
CID 66025468
5-ethoxy-2-ethyl-2-methylpentan-1-ol
CID 66059379
4-amino-2-ethyl-2-methylbutan-1-ol
CID 105427654
3-ethyl-3-methyltetradecane
CID 54159558
3-ethyl-3-methyldecane
CID 545661
3-ethyl-3-methyldodecane
CID 56619966
2-ethyl-5-(2-methoxyethoxy)-2-methylpentan-1-ol
CID 103415225

Frequently Asked Questions

What is the IUPAC name of 2,11-diethyl-2,11-dimethyldodecane-1,12-diol?
The IUPAC name of 2,11-diethyl-2,11-dimethyldodecane-1,12-diol (CID 3069683) is 2,11-diethyl-2,11-dimethyldodecane-1,12-diol.
What is the SMILES notation for 2,11-diethyl-2,11-dimethyldodecane-1,12-diol?
The canonical SMILES for 2,11-diethyl-2,11-dimethyldodecane-1,12-diol is CCC(C)(CO)CCCCCCCCC(C)(CC)CO.
What is the InChIKey of 2,11-diethyl-2,11-dimethyldodecane-1,12-diol?
The InChIKey is TYLRFGPJTUPMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O2/c1-5-17(3,15-19)13-11-9-7-8-10-12-14-18(4,6-2)16-20/h19-20H,5-16H2,1-4H3.
What are the key properties of 2,11-diethyl-2,11-dimethyldodecane-1,12-diol?
2,11-diethyl-2,11-dimethyldodecane-1,12-diol has a molecular weight of 286.50 g/mol, XLogP of 4.92, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,11-diethyl-2,11-dimethyldodecane-1,12-diol is sourced from PubChem (CID 3069683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).