3-(ethoxymethyl)-2,2,4,4-tetramethylpentan-3-ol

C12H26O2 — CID 15270323

IUPAC3-(ethoxymethyl)-2,2,4,4-tetramethylpentan-3-ol
SMILESCCOCC(O)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H26O2/c1-8-14-9-12(13,10(2,3)4)11(5,6)7/h13H,8-9H2,1-7H3
InChIKeyIJZDMKGNAZZNBB-UHFFFAOYSA-N
MW202.34 g/mol
LogP2.85
Rot. Bonds3

About 3-(ethoxymethyl)-2,2,4,4-tetramethylpentan-3-ol

3-(ethoxymethyl)-2,2,4,4-tetramethylpentan-3-ol (PubChem CID 15270323) has the molecular formula C12H26O2 and a molecular weight of 202.34 g/mol. Its IUPAC name is 3-(ethoxymethyl)-2,2,4,4-tetramethylpentan-3-ol.

Molecular Properties

Compound Name3-(ethoxymethyl)-2,2,4,4-tetramethylpentan-3-ol
PubChem CID15270323
Molecular FormulaC12H26O2
Molecular Weight202.34 g/mol
Exact Mass202.19
IUPAC Name3-(ethoxymethyl)-2,2,4,4-tetramethylpentan-3-ol
SMILESCCOCC(O)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H26O2/c1-8-14-9-12(13,10(2,3)4)11(5,6)7/h13H,8-9H2,1-7H3
InChIKeyIJZDMKGNAZZNBB-UHFFFAOYSA-N
XLogP2.85
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(ethoxymethyl)-2,2,4,4-tetramethylpentan-3-ol?
The IUPAC name of 3-(ethoxymethyl)-2,2,4,4-tetramethylpentan-3-ol (CID 15270323) is 3-(ethoxymethyl)-2,2,4,4-tetramethylpentan-3-ol.
What is the SMILES notation for 3-(ethoxymethyl)-2,2,4,4-tetramethylpentan-3-ol?
The canonical SMILES for 3-(ethoxymethyl)-2,2,4,4-tetramethylpentan-3-ol is CCOCC(O)(C(C)(C)C)C(C)(C)C.
What is the InChIKey of 3-(ethoxymethyl)-2,2,4,4-tetramethylpentan-3-ol?
The InChIKey is IJZDMKGNAZZNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2/c1-8-14-9-12(13,10(2,3)4)11(5,6)7/h13H,8-9H2,1-7H3.
What are the key properties of 3-(ethoxymethyl)-2,2,4,4-tetramethylpentan-3-ol?
3-(ethoxymethyl)-2,2,4,4-tetramethylpentan-3-ol has a molecular weight of 202.34 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethoxymethyl)-2,2,4,4-tetramethylpentan-3-ol is sourced from PubChem (CID 15270323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).