2-ethyl-6-(2-hydroxyethyl)-2,4-dimethyloctane-1,3,8-triol

C14H30O4 — CID 91010902

IUPAC2-ethyl-6-(2-hydroxyethyl)-2,4-dimethyloctane-1,3,8-triol
SMILESCCC(C)(CO)C(O)C(C)CC(CCO)CCO
InChIInChI=1S/C14H30O4/c1-4-14(3,10-17)13(18)11(2)9-12(5-7-15)6-8-16/h11-13,15-18H,4-10H2,1-3H3
InChIKeyXKRNOLGSYLPINB-UHFFFAOYSA-N
MW262.39 g/mol
LogP1.16
Rot. Bonds10

About 2-ethyl-6-(2-hydroxyethyl)-2,4-dimethyloctane-1,3,8-triol

2-ethyl-6-(2-hydroxyethyl)-2,4-dimethyloctane-1,3,8-triol (PubChem CID 91010902) has the molecular formula C14H30O4 and a molecular weight of 262.39 g/mol. Its IUPAC name is 2-ethyl-6-(2-hydroxyethyl)-2,4-dimethyloctane-1,3,8-triol.

Molecular Properties

Compound Name2-ethyl-6-(2-hydroxyethyl)-2,4-dimethyloctane-1,3,8-triol
PubChem CID91010902
Molecular FormulaC14H30O4
Molecular Weight262.39 g/mol
Exact Mass262.21
IUPAC Name2-ethyl-6-(2-hydroxyethyl)-2,4-dimethyloctane-1,3,8-triol
SMILESCCC(C)(CO)C(O)C(C)CC(CCO)CCO
InChIInChI=1S/C14H30O4/c1-4-14(3,10-17)13(18)11(2)9-12(5-7-15)6-8-16/h11-13,15-18H,4-10H2,1-3H3
InChIKeyXKRNOLGSYLPINB-UHFFFAOYSA-N
XLogP1.16
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 51.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-2,5,7,7-tetramethyloctane-1,3,4,8-tetrol
CID 90460331
3-ethyl-3,5-dimethylnonan-4-ol
CID 156689817
2-ethyl-2,3-dimethylbutane-1,4-diol
CID 57175682
2,2-diethylpropane-1,3-diol;3-propylpentane-1,5-diol
CID 159824502
2,4-dimethyl-2-propylpentane-1,3-diol
CID 19375233
2-(2,2-dimethylpropyl)butane-1,4-diol
CID 140997808
2-methylbutan-2-ol;3-methylbutan-1-ol
CID 159050772
3,5-diethyl-3,5-dimethylheptan-4-ol
CID 58905143
2-methyl-2-propan-2-ylbutane-1,4-diol
CID 54159486
4-ethyl-3,4-dimethylundecan-1-ol
CID 123259629
3,5-diethyloctane-1,5-diol
CID 87743708
butane-1,3-diol;ethanol
CID 88835658

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-(2-hydroxyethyl)-2,4-dimethyloctane-1,3,8-triol?
The IUPAC name of 2-ethyl-6-(2-hydroxyethyl)-2,4-dimethyloctane-1,3,8-triol (CID 91010902) is 2-ethyl-6-(2-hydroxyethyl)-2,4-dimethyloctane-1,3,8-triol.
What is the SMILES notation for 2-ethyl-6-(2-hydroxyethyl)-2,4-dimethyloctane-1,3,8-triol?
The canonical SMILES for 2-ethyl-6-(2-hydroxyethyl)-2,4-dimethyloctane-1,3,8-triol is CCC(C)(CO)C(O)C(C)CC(CCO)CCO.
What is the InChIKey of 2-ethyl-6-(2-hydroxyethyl)-2,4-dimethyloctane-1,3,8-triol?
The InChIKey is XKRNOLGSYLPINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O4/c1-4-14(3,10-17)13(18)11(2)9-12(5-7-15)6-8-16/h11-13,15-18H,4-10H2,1-3H3.
What are the key properties of 2-ethyl-6-(2-hydroxyethyl)-2,4-dimethyloctane-1,3,8-triol?
2-ethyl-6-(2-hydroxyethyl)-2,4-dimethyloctane-1,3,8-triol has a molecular weight of 262.39 g/mol, XLogP of 1.16, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-(2-hydroxyethyl)-2,4-dimethyloctane-1,3,8-triol is sourced from PubChem (CID 91010902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).