2-(2-hydroxy-1-methoxyethoxy)-3,3-dimethylbutan-1-ol

C9H20O4 — CID 118017315

IUPAC2-(2-hydroxy-1-methoxyethoxy)-3,3-dimethylbutan-1-ol
SMILESCOC(CO)OC(CO)C(C)(C)C
InChIInChI=1S/C9H20O4/c1-9(2,3)7(5-10)13-8(6-11)12-4/h7-8,10-11H,5-6H2,1-4H3
InChIKeyRXKNNLXCYKMKLO-UHFFFAOYSA-N
MW192.25 g/mol
LogP0.37
Rot. Bonds5

About 2-(2-hydroxy-1-methoxyethoxy)-3,3-dimethylbutan-1-ol

2-(2-hydroxy-1-methoxyethoxy)-3,3-dimethylbutan-1-ol (PubChem CID 118017315) has the molecular formula C9H20O4 and a molecular weight of 192.25 g/mol. Its IUPAC name is 2-(2-hydroxy-1-methoxyethoxy)-3,3-dimethylbutan-1-ol.

Molecular Properties

Compound Name2-(2-hydroxy-1-methoxyethoxy)-3,3-dimethylbutan-1-ol
PubChem CID118017315
Molecular FormulaC9H20O4
Molecular Weight192.25 g/mol
Exact Mass192.14
IUPAC Name2-(2-hydroxy-1-methoxyethoxy)-3,3-dimethylbutan-1-ol
SMILESCOC(CO)OC(CO)C(C)(C)C
InChIInChI=1S/C9H20O4/c1-9(2,3)7(5-10)13-8(6-11)12-4/h7-8,10-11H,5-6H2,1-4H3
InChIKeyRXKNNLXCYKMKLO-UHFFFAOYSA-N
XLogP0.37
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

magnesium;2,2-dimethoxyethanol;hydride
CID 174500323
dihydroxy(oxo)phosphanium;2,2-dimethoxyethanol
CID 174701036
2-(2-aminoethoxy)-3,3-dimethylbutan-1-ol
CID 175288171
3-methoxy-2,2,5,5-tetramethylhexane
CID 12756025
(E)-5-methoxy-6,6-dimethylhept-2-ene
CID 134995972
(2R)-2-(2-hydroxy-1-methoxyethoxy)-2-methoxybutan-1-ol
CID 88564305
2-(3,3-dimethoxypropyl)propane-1,3-diol
CID 19350817
[2-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]oxy-2-[(2-methylpropan-2-yl)oxy]ethyl] 5-[2-(disulfanyl)ethylamino]-5-oxopentanoate
CID 89303663
2-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethanol
CID 57305143
3-(1-methoxy-2,2-dimethylpropoxy)-2,2-dimethylhexane
CID 121371921
4-methoxy-3,3,5-trimethylhexane-1,2-diol
CID 123487939
(2S,3R)-2,3-dimethoxybutane-1,4-diol
CID 119097957

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-1-methoxyethoxy)-3,3-dimethylbutan-1-ol?
The IUPAC name of 2-(2-hydroxy-1-methoxyethoxy)-3,3-dimethylbutan-1-ol (CID 118017315) is 2-(2-hydroxy-1-methoxyethoxy)-3,3-dimethylbutan-1-ol.
What is the SMILES notation for 2-(2-hydroxy-1-methoxyethoxy)-3,3-dimethylbutan-1-ol?
The canonical SMILES for 2-(2-hydroxy-1-methoxyethoxy)-3,3-dimethylbutan-1-ol is COC(CO)OC(CO)C(C)(C)C.
What is the InChIKey of 2-(2-hydroxy-1-methoxyethoxy)-3,3-dimethylbutan-1-ol?
The InChIKey is RXKNNLXCYKMKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O4/c1-9(2,3)7(5-10)13-8(6-11)12-4/h7-8,10-11H,5-6H2,1-4H3.
What are the key properties of 2-(2-hydroxy-1-methoxyethoxy)-3,3-dimethylbutan-1-ol?
2-(2-hydroxy-1-methoxyethoxy)-3,3-dimethylbutan-1-ol has a molecular weight of 192.25 g/mol, XLogP of 0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-1-methoxyethoxy)-3,3-dimethylbutan-1-ol is sourced from PubChem (CID 118017315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).