5-ethoxy-2,2,4,4-tetramethylpentane-1,3-diol

C11H24O3 — CID 123543518

IUPAC5-ethoxy-2,2,4,4-tetramethylpentane-1,3-diol
SMILESCCOCC(C)(C)C(O)C(C)(C)CO
InChIInChI=1S/C11H24O3/c1-6-14-8-11(4,5)9(13)10(2,3)7-12/h9,12-13H,6-8H2,1-5H3
InChIKeyCZPWNOXXUPMHJV-UHFFFAOYSA-N
MW204.31 g/mol
LogP1.43
Rot. Bonds6

About 5-ethoxy-2,2,4,4-tetramethylpentane-1,3-diol

5-ethoxy-2,2,4,4-tetramethylpentane-1,3-diol (PubChem CID 123543518) has the molecular formula C11H24O3 and a molecular weight of 204.31 g/mol. Its IUPAC name is 5-ethoxy-2,2,4,4-tetramethylpentane-1,3-diol.

Molecular Properties

Compound Name5-ethoxy-2,2,4,4-tetramethylpentane-1,3-diol
PubChem CID123543518
Molecular FormulaC11H24O3
Molecular Weight204.31 g/mol
Exact Mass204.17
IUPAC Name5-ethoxy-2,2,4,4-tetramethylpentane-1,3-diol
SMILESCCOCC(C)(C)C(O)C(C)(C)CO
InChIInChI=1S/C11H24O3/c1-6-14-8-11(4,5)9(13)10(2,3)7-12/h9,12-13H,6-8H2,1-5H3
InChIKeyCZPWNOXXUPMHJV-UHFFFAOYSA-N
XLogP1.43
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethoxy-2,2-dimethylpropan-1-ol
CID 12698285
(3S)-2,2,4,4-tetramethylpentane-1,3-diol
CID 59590927
ethoxyethane;2-(hydroxymethyl)-2-methylpropane-1,3-diol
CID 21464807
3-ethoxy-2-(ethylamino)-2-methylpropan-1-ol
CID 64802622
2-amino-2-(ethoxymethyl)propane-1,3-diol;tetrahydrochloride
CID 173373234
2,4-dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutanamide;ethoxyethane
CID 87265025
1-(2-amino-2-methylpropoxy)-3-ethoxypropan-2-ol
CID 106939938
ethane;1-ethoxy-2,2-dimethylpropane
CID 155734553
2-(dimethylamino)-2-(ethoxymethyl)propane-1,3-diol
CID 174350180
2-(ethoxymethyl)-2-ethylpropane-1,3-diol;2-(ethoxymethyl)-2-methylpropane-1,3-diol;methane
CID 160847365
2-(hydroxymethyl)-2-(2,2,3-trimethylbutoxymethyl)propane-1,3-diol
CID 123831120
ethoxyethane;decakis(propane-1,2,3-triol)
CID 173290324

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2,2,4,4-tetramethylpentane-1,3-diol?
The IUPAC name of 5-ethoxy-2,2,4,4-tetramethylpentane-1,3-diol (CID 123543518) is 5-ethoxy-2,2,4,4-tetramethylpentane-1,3-diol.
What is the SMILES notation for 5-ethoxy-2,2,4,4-tetramethylpentane-1,3-diol?
The canonical SMILES for 5-ethoxy-2,2,4,4-tetramethylpentane-1,3-diol is CCOCC(C)(C)C(O)C(C)(C)CO.
What is the InChIKey of 5-ethoxy-2,2,4,4-tetramethylpentane-1,3-diol?
The InChIKey is CZPWNOXXUPMHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O3/c1-6-14-8-11(4,5)9(13)10(2,3)7-12/h9,12-13H,6-8H2,1-5H3.
What are the key properties of 5-ethoxy-2,2,4,4-tetramethylpentane-1,3-diol?
5-ethoxy-2,2,4,4-tetramethylpentane-1,3-diol has a molecular weight of 204.31 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2,2,4,4-tetramethylpentane-1,3-diol is sourced from PubChem (CID 123543518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).