3-(2-ethenoxyethoxy)butan-2-ol

C8H16O3 — CID 90891465

IUPAC3-(2-ethenoxyethoxy)butan-2-ol
SMILESC=COCCOC(C)C(C)O
InChIInChI=1S/C8H16O3/c1-4-10-5-6-11-8(3)7(2)9/h4,7-9H,1,5-6H2,2-3H3
InChIKeyKLVNFYBZADMXTO-UHFFFAOYSA-N
MW160.21 g/mol
LogP0.93
Rot. Bonds6

About 3-(2-ethenoxyethoxy)butan-2-ol

3-(2-ethenoxyethoxy)butan-2-ol (PubChem CID 90891465) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is 3-(2-ethenoxyethoxy)butan-2-ol.

Molecular Properties

Compound Name3-(2-ethenoxyethoxy)butan-2-ol
PubChem CID90891465
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name3-(2-ethenoxyethoxy)butan-2-ol
SMILESC=COCCOC(C)C(C)O
InChIInChI=1S/C8H16O3/c1-4-10-5-6-11-8(3)7(2)9/h4,7-9H,1,5-6H2,2-3H3
InChIKeyKLVNFYBZADMXTO-UHFFFAOYSA-N
XLogP0.93
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-ethenoxyethoxy)-3-methylbutane
CID 164755037
2-(2-ethenoxyethoxy)propane
CID 14510947
1-ethenoxy-2-methoxyethane
CID 15457
2-(2-ethenoxyethoxy)propyl acetate
CID 139969470
4-(2-ethenoxyethoxy)-2-methylpent-2-enoic acid
CID 173009851
3-[3-(2-ethenoxyethoxy)butoxy]butan-1-ol
CID 89181158
(2S)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butan-2-ol
CID 103939578
2-[2-(2-ethenoxyethoxy)-2-propan-2-yloxyethoxy]propane
CID 167337510
1-[2-[1-(2-ethenoxyethoxymethoxy)ethoxy]ethoxymethoxy]-1-[2-(ethenoxymethoxy)ethoxy]ethane
CID 134509540
1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methoxyethane;1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methoxyethane;1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methoxyethane;1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methoxyethane;1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methoxyethane
CID 158513619
(3S)-3-(hydroxymethoxy)butan-2-ol
CID 145435326
2-(2-ethenoxyethoxy)-3-hydroxypropanal
CID 91341078

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethenoxyethoxy)butan-2-ol?
The IUPAC name of 3-(2-ethenoxyethoxy)butan-2-ol (CID 90891465) is 3-(2-ethenoxyethoxy)butan-2-ol.
What is the SMILES notation for 3-(2-ethenoxyethoxy)butan-2-ol?
The canonical SMILES for 3-(2-ethenoxyethoxy)butan-2-ol is C=COCCOC(C)C(C)O.
What is the InChIKey of 3-(2-ethenoxyethoxy)butan-2-ol?
The InChIKey is KLVNFYBZADMXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-4-10-5-6-11-8(3)7(2)9/h4,7-9H,1,5-6H2,2-3H3.
What are the key properties of 3-(2-ethenoxyethoxy)butan-2-ol?
3-(2-ethenoxyethoxy)butan-2-ol has a molecular weight of 160.21 g/mol, XLogP of 0.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethenoxyethoxy)butan-2-ol is sourced from PubChem (CID 90891465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).