2-ethoxy-3,3-dimethylbutan-2-ol

C8H18O2 — CID 141378500

IUPAC2-ethoxy-3,3-dimethylbutan-2-ol
SMILESCCOC(C)(O)C(C)(C)C
InChIInChI=1S/C8H18O2/c1-6-10-8(5,9)7(2,3)4/h9H,6H2,1-5H3
InChIKeyWXYSVSAPFLSHBQ-UHFFFAOYSA-N
MW146.23 g/mol
LogP1.78
Rot. Bonds2

About 2-ethoxy-3,3-dimethylbutan-2-ol

2-ethoxy-3,3-dimethylbutan-2-ol (PubChem CID 141378500) has the molecular formula C8H18O2 and a molecular weight of 146.23 g/mol. Its IUPAC name is 2-ethoxy-3,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name2-ethoxy-3,3-dimethylbutan-2-ol
PubChem CID141378500
Molecular FormulaC8H18O2
Molecular Weight146.23 g/mol
Exact Mass146.13
IUPAC Name2-ethoxy-3,3-dimethylbutan-2-ol
SMILESCCOC(C)(O)C(C)(C)C
InChIInChI=1S/C8H18O2/c1-6-10-8(5,9)7(2,3)4/h9H,6H2,1-5H3
InChIKeyWXYSVSAPFLSHBQ-UHFFFAOYSA-N
XLogP1.78
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-2-methylpropane
CID 12512
2-ethoxy-2-(113C)methyl(1,3-13C2)propane
CID 71308925
2-(1,2-13C2)ethoxy-2-(113C)methyl(1,2,3-13C3)propane
CID 71309473
2-(1,1-diethoxyethyl)-2-(hydroxymethyl)propane-1,3-diol
CID 87439986
titanium;1,1,2-triethoxy-2-methylpropan-1-ol
CID 87321187
1-amino-2-ethoxypropan-2-ol
CID 174792064
(2S)-4-amino-2-ethoxypentan-2-ol
CID 163736531
2-(3-ethoxy-2,3-dimethylbutan-2-yl)oxypropan-2-ol
CID 170039008
1-ethoxypentane-1,1,4,4-tetrol
CID 91379347
2-ethoxy-1-methoxypropan-2-ol
CID 148549797
1,1-dichloro-2-ethoxypropan-2-ol
CID 141478859
3-ethoxy-3-ethyl-2,2-dimethylpentane
CID 174477708

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3,3-dimethylbutan-2-ol?
The IUPAC name of 2-ethoxy-3,3-dimethylbutan-2-ol (CID 141378500) is 2-ethoxy-3,3-dimethylbutan-2-ol.
What is the SMILES notation for 2-ethoxy-3,3-dimethylbutan-2-ol?
The canonical SMILES for 2-ethoxy-3,3-dimethylbutan-2-ol is CCOC(C)(O)C(C)(C)C.
What is the InChIKey of 2-ethoxy-3,3-dimethylbutan-2-ol?
The InChIKey is WXYSVSAPFLSHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2/c1-6-10-8(5,9)7(2,3)4/h9H,6H2,1-5H3.
What are the key properties of 2-ethoxy-3,3-dimethylbutan-2-ol?
2-ethoxy-3,3-dimethylbutan-2-ol has a molecular weight of 146.23 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3,3-dimethylbutan-2-ol is sourced from PubChem (CID 141378500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).