2,2-bis(ethoxymethyl)butan-1-ol

C10H22O3 — CID 3022735

IUPAC2,2-bis(ethoxymethyl)butan-1-ol
SMILESCCOCC(CC)(CO)COCC
InChIInChI=1S/C10H22O3/c1-4-10(7-11,8-12-5-2)9-13-6-3/h11H,4-9H2,1-3H3
InChIKeyOJJGNIICITWWPL-UHFFFAOYSA-N
MW190.28 g/mol
LogP1.45
Rot. Bonds8

About 2,2-bis(ethoxymethyl)butan-1-ol

2,2-bis(ethoxymethyl)butan-1-ol (PubChem CID 3022735) has the molecular formula C10H22O3 and a molecular weight of 190.28 g/mol. Its IUPAC name is 2,2-bis(ethoxymethyl)butan-1-ol.

Molecular Properties

Compound Name2,2-bis(ethoxymethyl)butan-1-ol
PubChem CID3022735
Molecular FormulaC10H22O3
Molecular Weight190.28 g/mol
Exact Mass190.16
IUPAC Name2,2-bis(ethoxymethyl)butan-1-ol
SMILESCCOCC(CC)(CO)COCC
InChIInChI=1S/C10H22O3/c1-4-10(7-11,8-12-5-2)9-13-6-3/h11H,4-9H2,1-3H3
InChIKeyOJJGNIICITWWPL-UHFFFAOYSA-N
XLogP1.45
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.28
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-bis(ethoxymethyl)butan-1-ol?
The IUPAC name of 2,2-bis(ethoxymethyl)butan-1-ol (CID 3022735) is 2,2-bis(ethoxymethyl)butan-1-ol.
What is the SMILES notation for 2,2-bis(ethoxymethyl)butan-1-ol?
The canonical SMILES for 2,2-bis(ethoxymethyl)butan-1-ol is CCOCC(CC)(CO)COCC.
What is the InChIKey of 2,2-bis(ethoxymethyl)butan-1-ol?
The InChIKey is OJJGNIICITWWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O3/c1-4-10(7-11,8-12-5-2)9-13-6-3/h11H,4-9H2,1-3H3.
What are the key properties of 2,2-bis(ethoxymethyl)butan-1-ol?
2,2-bis(ethoxymethyl)butan-1-ol has a molecular weight of 190.28 g/mol, XLogP of 1.45, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(ethoxymethyl)butan-1-ol is sourced from PubChem (CID 3022735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).