3-[2-(2-hydroxyethoxy)ethoxymethyl]-2,2,4,4-tetramethylpentan-3-ol

C14H30O4 — CID 86746408

IUPAC3-[2-(2-hydroxyethoxy)ethoxymethyl]-2,2,4,4-tetramethylpentan-3-ol
SMILESCC(C)(C)C(O)(COCCOCCO)C(C)(C)C
InChIInChI=1S/C14H30O4/c1-12(2,3)14(16,13(4,5)6)11-18-10-9-17-8-7-15/h15-16H,7-11H2,1-6H3
InChIKeyXDIJYXJMHAEECM-UHFFFAOYSA-N
MW262.39 g/mol
LogP1.84
Rot. Bonds7

About 3-[2-(2-hydroxyethoxy)ethoxymethyl]-2,2,4,4-tetramethylpentan-3-ol

3-[2-(2-hydroxyethoxy)ethoxymethyl]-2,2,4,4-tetramethylpentan-3-ol (PubChem CID 86746408) has the molecular formula C14H30O4 and a molecular weight of 262.39 g/mol. Its IUPAC name is 3-[2-(2-hydroxyethoxy)ethoxymethyl]-2,2,4,4-tetramethylpentan-3-ol.

Molecular Properties

Compound Name3-[2-(2-hydroxyethoxy)ethoxymethyl]-2,2,4,4-tetramethylpentan-3-ol
PubChem CID86746408
Molecular FormulaC14H30O4
Molecular Weight262.39 g/mol
Exact Mass262.21
IUPAC Name3-[2-(2-hydroxyethoxy)ethoxymethyl]-2,2,4,4-tetramethylpentan-3-ol
SMILESCC(C)(C)C(O)(COCCOCCO)C(C)(C)C
InChIInChI=1S/C14H30O4/c1-12(2,3)14(16,13(4,5)6)11-18-10-9-17-8-7-15/h15-16H,7-11H2,1-6H3
InChIKeyXDIJYXJMHAEECM-UHFFFAOYSA-N
XLogP1.84
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(Ethoxymethyl)-2,2,4,4-tetramethylpentan-3-ol
CID 15270323
3-(Ethoxymethyl)-2,4-dimethylpentan-3-ol
CID 71344344
Diethyl diethylene glycol
CID 22507180
CID 15321585
CID 15321585
Propylene glycol ethyl t-butyl ester
CID 166451155
2-Butanol, 3-(1,3,3-trimethylbutoxy)-
CID 546003
(1S)-1-[(2R)-2-tert-butyloxiran-2-yl]ethanol
CID 130127009
2-Tert-butyl-3,3-dimethylbutane-1,2-diol
CID 12598030
4-(2-Hydroxypropoxy)-2,2-dimethylpentan-3-ol
CID 19422822
2,2,3-Trimethylhexane-3,4-diol
CID 20711551
2-[1-Hydroxy-2-(hydroxymethyl)pentan-2-yl]oxy-2-propylpropane-1,3-diol
CID 20798433
2-Tert-butyl-3,3,4,4-tetramethylpentane-1,2-diol
CID 21538887

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-hydroxyethoxy)ethoxymethyl]-2,2,4,4-tetramethylpentan-3-ol?
The IUPAC name of 3-[2-(2-hydroxyethoxy)ethoxymethyl]-2,2,4,4-tetramethylpentan-3-ol (CID 86746408) is 3-[2-(2-hydroxyethoxy)ethoxymethyl]-2,2,4,4-tetramethylpentan-3-ol.
What is the SMILES notation for 3-[2-(2-hydroxyethoxy)ethoxymethyl]-2,2,4,4-tetramethylpentan-3-ol?
The canonical SMILES for 3-[2-(2-hydroxyethoxy)ethoxymethyl]-2,2,4,4-tetramethylpentan-3-ol is CC(C)(C)C(O)(COCCOCCO)C(C)(C)C.
What is the InChIKey of 3-[2-(2-hydroxyethoxy)ethoxymethyl]-2,2,4,4-tetramethylpentan-3-ol?
The InChIKey is XDIJYXJMHAEECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O4/c1-12(2,3)14(16,13(4,5)6)11-18-10-9-17-8-7-15/h15-16H,7-11H2,1-6H3.
What are the key properties of 3-[2-(2-hydroxyethoxy)ethoxymethyl]-2,2,4,4-tetramethylpentan-3-ol?
3-[2-(2-hydroxyethoxy)ethoxymethyl]-2,2,4,4-tetramethylpentan-3-ol has a molecular weight of 262.39 g/mol, XLogP of 1.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-hydroxyethoxy)ethoxymethyl]-2,2,4,4-tetramethylpentan-3-ol is sourced from PubChem (CID 86746408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).