2-ethyl-2-[(3-hydroxy-2,2-dimethylpropoxy)methyl]hexan-1-ol

C14H30O3 — CID 90266979

IUPAC2-ethyl-2-[(3-hydroxy-2,2-dimethylpropoxy)methyl]hexan-1-ol
SMILESCCCCC(CC)(CO)COCC(C)(C)CO
InChIInChI=1S/C14H30O3/c1-5-7-8-14(6-2,10-16)12-17-11-13(3,4)9-15/h15-16H,5-12H2,1-4H3
InChIKeyNJBPAONKBUYIKN-UHFFFAOYSA-N
MW246.39 g/mol
LogP2.60
Rot. Bonds10

About 2-ethyl-2-[(3-hydroxy-2,2-dimethylpropoxy)methyl]hexan-1-ol

2-ethyl-2-[(3-hydroxy-2,2-dimethylpropoxy)methyl]hexan-1-ol (PubChem CID 90266979) has the molecular formula C14H30O3 and a molecular weight of 246.39 g/mol. Its IUPAC name is 2-ethyl-2-[(3-hydroxy-2,2-dimethylpropoxy)methyl]hexan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-[(3-hydroxy-2,2-dimethylpropoxy)methyl]hexan-1-ol
PubChem CID90266979
Molecular FormulaC14H30O3
Molecular Weight246.39 g/mol
Exact Mass246.22
IUPAC Name2-ethyl-2-[(3-hydroxy-2,2-dimethylpropoxy)methyl]hexan-1-ol
SMILESCCCCC(CC)(CO)COCC(C)(C)CO
InChIInChI=1S/C14H30O3/c1-5-7-8-14(6-2,10-16)12-17-11-13(3,4)9-15/h15-16H,5-12H2,1-4H3
InChIKeyNJBPAONKBUYIKN-UHFFFAOYSA-N
XLogP2.60
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-butyl-2-ethyl-4,4-dimethylhexan-1-ol
CID 156689242
2-butyl-2-ethylpropane-1,3-diol
CID 87084275
2-ethyl-2-(phosphanyloxymethyl)hexan-1-ol
CID 146506376
3-(3-hydroxy-2,2-dimethylpropoxy)-2,2-dimethylpropan-1-ol
CID 14512536
2-ethyl-2-[[4-[2-ethyl-2-(hydroxymethyl)hexoxy]cyclohexyl]oxymethyl]hexan-1-ol
CID 130308388
2-(2,2-dimethylpropyl)-2-ethylhexan-1-ol
CID 156689440
2-butyl-2-ethyl-5,5-dimethylhexan-1-ol
CID 66057661
2,2-dipropylhexan-1-ol;2-ethyl-2-propylhexan-1-ol
CID 23057811
2-[[2-[2,2-bis(hydroxymethyl)butoxymethyl]-3-hydroxy-2-(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol
CID 88891736
2-butyl-2-ethylpropane-1,3-diol;nonane-1,9-diol
CID 157049942
2,2-bis(decoxymethyl)butan-1-ol
CID 71361310
2-ethyl-2-(octoxymethyl)propane-1,3-diol
CID 11345608

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(3-hydroxy-2,2-dimethylpropoxy)methyl]hexan-1-ol?
The IUPAC name of 2-ethyl-2-[(3-hydroxy-2,2-dimethylpropoxy)methyl]hexan-1-ol (CID 90266979) is 2-ethyl-2-[(3-hydroxy-2,2-dimethylpropoxy)methyl]hexan-1-ol.
What is the SMILES notation for 2-ethyl-2-[(3-hydroxy-2,2-dimethylpropoxy)methyl]hexan-1-ol?
The canonical SMILES for 2-ethyl-2-[(3-hydroxy-2,2-dimethylpropoxy)methyl]hexan-1-ol is CCCCC(CC)(CO)COCC(C)(C)CO.
What is the InChIKey of 2-ethyl-2-[(3-hydroxy-2,2-dimethylpropoxy)methyl]hexan-1-ol?
The InChIKey is NJBPAONKBUYIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O3/c1-5-7-8-14(6-2,10-16)12-17-11-13(3,4)9-15/h15-16H,5-12H2,1-4H3.
What are the key properties of 2-ethyl-2-[(3-hydroxy-2,2-dimethylpropoxy)methyl]hexan-1-ol?
2-ethyl-2-[(3-hydroxy-2,2-dimethylpropoxy)methyl]hexan-1-ol has a molecular weight of 246.39 g/mol, XLogP of 2.60, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(3-hydroxy-2,2-dimethylpropoxy)methyl]hexan-1-ol is sourced from PubChem (CID 90266979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).