4-(ethoxymethyl)-2-propan-2-yloxan-4-ol

C11H22O3 — CID 79567400

IUPAC4-(ethoxymethyl)-2-propan-2-yloxan-4-ol
SMILESCCOCC1(O)CCOC(C(C)C)C1
InChIInChI=1S/C11H22O3/c1-4-13-8-11(12)5-6-14-10(7-11)9(2)3/h9-10,12H,4-8H2,1-3H3
InChIKeyIYQFWFWBOJOFRA-UHFFFAOYSA-N
MW202.29 g/mol
LogP1.59
Rot. Bonds4

About 4-(ethoxymethyl)-2-propan-2-yloxan-4-ol

4-(ethoxymethyl)-2-propan-2-yloxan-4-ol (PubChem CID 79567400) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is 4-(ethoxymethyl)-2-propan-2-yloxan-4-ol.

Molecular Properties

Compound Name4-(ethoxymethyl)-2-propan-2-yloxan-4-ol
PubChem CID79567400
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name4-(ethoxymethyl)-2-propan-2-yloxan-4-ol
SMILESCCOCC1(O)CCOC(C(C)C)C1
InChIInChI=1S/C11H22O3/c1-4-13-8-11(12)5-6-14-10(7-11)9(2)3/h9-10,12H,4-8H2,1-3H3
InChIKeyIYQFWFWBOJOFRA-UHFFFAOYSA-N
XLogP1.59
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(hydroxymethyl)-2-propan-2-yloxan-4-ol
CID 82713696
4-(cyclopentylmethyl)-2-propan-2-yloxan-4-ol
CID 65148777
1-(ethoxymethyl)-3-propan-2-ylcyclohexan-1-ol
CID 107449768
4-butan-2-yl-2-propan-2-yloxan-4-ol
CID 79445575
4-[(3,4-dichlorophenyl)methyl]-2-propan-2-yloxan-4-ol
CID 65149153
4-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-propan-2-yloxan-4-ol
CID 64786024
4-[(1-methylimidazol-2-yl)methyl]-2-propan-2-yloxan-4-ol
CID 79744326
4-[(2-bromo-4-fluorophenyl)methyl]-2-propan-2-yloxan-4-ol
CID 65149365
2-(4-hydroxy-2-propan-2-yloxan-4-yl)pentanenitrile
CID 79413123
4-[1-(aminomethyl)cyclobutyl]-2-propan-2-yloxan-4-ol
CID 79124984
4-(propoxymethyl)oxan-4-ol
CID 79568343
4-[1-(aminomethyl)-4-ethylcyclohexyl]-2-propan-2-yloxan-4-ol
CID 79125187

Frequently Asked Questions

What is the IUPAC name of 4-(ethoxymethyl)-2-propan-2-yloxan-4-ol?
The IUPAC name of 4-(ethoxymethyl)-2-propan-2-yloxan-4-ol (CID 79567400) is 4-(ethoxymethyl)-2-propan-2-yloxan-4-ol.
What is the SMILES notation for 4-(ethoxymethyl)-2-propan-2-yloxan-4-ol?
The canonical SMILES for 4-(ethoxymethyl)-2-propan-2-yloxan-4-ol is CCOCC1(O)CCOC(C(C)C)C1.
What is the InChIKey of 4-(ethoxymethyl)-2-propan-2-yloxan-4-ol?
The InChIKey is IYQFWFWBOJOFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-4-13-8-11(12)5-6-14-10(7-11)9(2)3/h9-10,12H,4-8H2,1-3H3.
What are the key properties of 4-(ethoxymethyl)-2-propan-2-yloxan-4-ol?
4-(ethoxymethyl)-2-propan-2-yloxan-4-ol has a molecular weight of 202.29 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethoxymethyl)-2-propan-2-yloxan-4-ol is sourced from PubChem (CID 79567400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).