5,11-diethyl-8,8-dimethylpentadecane-7,9-diol

C21H44O2 — CID 140569222

IUPAC5,11-diethyl-8,8-dimethylpentadecane-7,9-diol
SMILESCCCCC(CC)CC(O)C(C)(C)C(O)CC(CC)CCCC
InChIInChI=1S/C21H44O2/c1-7-11-13-17(9-3)15-19(22)21(5,6)20(23)16-18(10-4)14-12-8-2/h17-20,22-23H,7-16H2,1-6H3
InChIKeyVMIJUEBIXXMEDN-UHFFFAOYSA-N
MW328.58 g/mol
LogP5.95
Rot. Bonds14

About 5,11-diethyl-8,8-dimethylpentadecane-7,9-diol

5,11-diethyl-8,8-dimethylpentadecane-7,9-diol (PubChem CID 140569222) has the molecular formula C21H44O2 and a molecular weight of 328.58 g/mol. Its IUPAC name is 5,11-diethyl-8,8-dimethylpentadecane-7,9-diol.

Molecular Properties

Compound Name5,11-diethyl-8,8-dimethylpentadecane-7,9-diol
PubChem CID140569222
Molecular FormulaC21H44O2
Molecular Weight328.58 g/mol
Exact Mass328.33
IUPAC Name5,11-diethyl-8,8-dimethylpentadecane-7,9-diol
SMILESCCCCC(CC)CC(O)C(C)(C)C(O)CC(CC)CCCC
InChIInChI=1S/C21H44O2/c1-7-11-13-17(9-3)15-19(22)21(5,6)20(23)16-18(10-4)14-12-8-2/h17-20,22-23H,7-16H2,1-6H3
InChIKeyVMIJUEBIXXMEDN-UHFFFAOYSA-N
XLogP5.95
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.58
LogP ≤ 55.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 114981382
(2R,4S)-4-ethyloctan-2-ol
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3-(diethylamino)-3,6-diethyldecan-4-ol
CID 79061528
3-tert-butyl-5-ethyl-2,2-dimethylnonane;ethane
CID 143303166
5-ethylnonane-2,3-diol
CID 87935287
(5S)-3,5-diethylnonane;methane
CID 159387669
(6R,9R)-3,9-diethyltridecan-6-ol
CID 86308442
8-ethyl-2,2,4-trimethyldodecan-6-ol
CID 19788763
5,9-diethyl-7-(2-ethylpentyl)tridecane
CID 170533070
6-ethyldecane-1,4-diol
CID 106677709
6-ethyl-2,3-dimethyldecan-4-ol
CID 114981252
(4R,7R)-7-ethyl-2-methylundecan-4-ol
CID 36690392

Frequently Asked Questions

What is the IUPAC name of 5,11-diethyl-8,8-dimethylpentadecane-7,9-diol?
The IUPAC name of 5,11-diethyl-8,8-dimethylpentadecane-7,9-diol (CID 140569222) is 5,11-diethyl-8,8-dimethylpentadecane-7,9-diol.
What is the SMILES notation for 5,11-diethyl-8,8-dimethylpentadecane-7,9-diol?
The canonical SMILES for 5,11-diethyl-8,8-dimethylpentadecane-7,9-diol is CCCCC(CC)CC(O)C(C)(C)C(O)CC(CC)CCCC.
What is the InChIKey of 5,11-diethyl-8,8-dimethylpentadecane-7,9-diol?
The InChIKey is VMIJUEBIXXMEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44O2/c1-7-11-13-17(9-3)15-19(22)21(5,6)20(23)16-18(10-4)14-12-8-2/h17-20,22-23H,7-16H2,1-6H3.
What are the key properties of 5,11-diethyl-8,8-dimethylpentadecane-7,9-diol?
5,11-diethyl-8,8-dimethylpentadecane-7,9-diol has a molecular weight of 328.58 g/mol, XLogP of 5.95, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,11-diethyl-8,8-dimethylpentadecane-7,9-diol is sourced from PubChem (CID 140569222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).