2-[2-(4-ethyl-1,3-dioxolan-2-yl)ethoxy]butan-1-ol

C11H22O4 — CID 45095328

IUPAC2-[2-(4-ethyl-1,3-dioxolan-2-yl)ethoxy]butan-1-ol
SMILESCCC(CO)OCCC1OCC(CC)O1
InChIInChI=1S/C11H22O4/c1-3-9(7-12)13-6-5-11-14-8-10(4-2)15-11/h9-12H,3-8H2,1-2H3
InChIKeyONWLCYWVKWCHLQ-UHFFFAOYSA-N
MW218.29 g/mol
LogP1.32
Rot. Bonds7

About 2-[2-(4-ethyl-1,3-dioxolan-2-yl)ethoxy]butan-1-ol

2-[2-(4-ethyl-1,3-dioxolan-2-yl)ethoxy]butan-1-ol (PubChem CID 45095328) has the molecular formula C11H22O4 and a molecular weight of 218.29 g/mol. Its IUPAC name is 2-[2-(4-ethyl-1,3-dioxolan-2-yl)ethoxy]butan-1-ol.

Molecular Properties

Compound Name2-[2-(4-ethyl-1,3-dioxolan-2-yl)ethoxy]butan-1-ol
PubChem CID45095328
Molecular FormulaC11H22O4
Molecular Weight218.29 g/mol
Exact Mass218.15
IUPAC Name2-[2-(4-ethyl-1,3-dioxolan-2-yl)ethoxy]butan-1-ol
SMILESCCC(CO)OCCC1OCC(CC)O1
InChIInChI=1S/C11H22O4/c1-3-9(7-12)13-6-5-11-14-8-10(4-2)15-11/h9-12H,3-8H2,1-2H3
InChIKeyONWLCYWVKWCHLQ-UHFFFAOYSA-N
XLogP1.32
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-pentadecyl-1,3-dioxolan-4-yl)methoxymethanol
CID 123535578
2-[(2-methyl-1,3-dioxolan-4-yl)oxy]butan-1-ol
CID 138705293
(2R,4S)-4-methyl-2-(2-propan-2-yloxyethyl)-1,3-dioxolane
CID 13183691
ethane-1,2-diol;2-ethyloxirane
CID 23290341
(2S)-2-ethoxybutan-1-ol
CID 89167253
2,3-bis(oxiran-2-ylmethoxy)propan-1-ol;2-[2-(oxiran-2-ylmethoxy)ethoxymethyl]oxirane
CID 158197483
3-[4-(hydroxymethyl)-1,3-dioxolan-2-yl]propan-1-ol
CID 115094395
3-[4-(2-hydroxyethyl)-1,3-dioxolan-2-yl]propan-1-ol
CID 117168285
2-[2-(2-hydroxybutoxy)butoxy]butan-1-ol
CID 22568338
(2R)-2-[[(2S)-oxiran-2-yl]methoxy]-3-[[(2R)-oxiran-2-yl]methoxy]propan-1-ol
CID 93477933
6-[(2-heptadecyl-1,3-dioxolan-4-yl)methoxy]hexan-1-ol
CID 23042923
1-(2-undecyl-1,3-dioxolan-4-yl)ethane-1,2-diol
CID 13379201

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethyl-1,3-dioxolan-2-yl)ethoxy]butan-1-ol?
The IUPAC name of 2-[2-(4-ethyl-1,3-dioxolan-2-yl)ethoxy]butan-1-ol (CID 45095328) is 2-[2-(4-ethyl-1,3-dioxolan-2-yl)ethoxy]butan-1-ol.
What is the SMILES notation for 2-[2-(4-ethyl-1,3-dioxolan-2-yl)ethoxy]butan-1-ol?
The canonical SMILES for 2-[2-(4-ethyl-1,3-dioxolan-2-yl)ethoxy]butan-1-ol is CCC(CO)OCCC1OCC(CC)O1.
What is the InChIKey of 2-[2-(4-ethyl-1,3-dioxolan-2-yl)ethoxy]butan-1-ol?
The InChIKey is ONWLCYWVKWCHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O4/c1-3-9(7-12)13-6-5-11-14-8-10(4-2)15-11/h9-12H,3-8H2,1-2H3.
What are the key properties of 2-[2-(4-ethyl-1,3-dioxolan-2-yl)ethoxy]butan-1-ol?
2-[2-(4-ethyl-1,3-dioxolan-2-yl)ethoxy]butan-1-ol has a molecular weight of 218.29 g/mol, XLogP of 1.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethyl-1,3-dioxolan-2-yl)ethoxy]butan-1-ol is sourced from PubChem (CID 45095328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).