4-[2-ethyl-2-(hydroxymethyl)butyl]-1,3-dioxolan-2-one

C10H18O4 — CID 69116194

IUPAC4-[2-ethyl-2-(hydroxymethyl)butyl]-1,3-dioxolan-2-one
SMILESCCC(CC)(CO)CC1COC(=O)O1
InChIInChI=1S/C10H18O4/c1-3-10(4-2,7-11)5-8-6-13-9(12)14-8/h8,11H,3-7H2,1-2H3
InChIKeyMZYXEXKRDXCETQ-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.71
Rot. Bonds5

About 4-[2-ethyl-2-(hydroxymethyl)butyl]-1,3-dioxolan-2-one

4-[2-ethyl-2-(hydroxymethyl)butyl]-1,3-dioxolan-2-one (PubChem CID 69116194) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is 4-[2-ethyl-2-(hydroxymethyl)butyl]-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-[2-ethyl-2-(hydroxymethyl)butyl]-1,3-dioxolan-2-one
PubChem CID69116194
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name4-[2-ethyl-2-(hydroxymethyl)butyl]-1,3-dioxolan-2-one
SMILESCCC(CC)(CO)CC1COC(=O)O1
InChIInChI=1S/C10H18O4/c1-3-10(4-2,7-11)5-8-6-13-9(12)14-8/h8,11H,3-7H2,1-2H3
InChIKeyMZYXEXKRDXCETQ-UHFFFAOYSA-N
XLogP1.71
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-4-(hydroxymethyl)-1,3-dioxolan-2-one
CID 11819074
(4S)-4-(2,2,3,3,3-pentafluoropropyl)-1,3-dioxolan-2-one
CID 154933846
acetic acid;4-(hydroxymethyl)-1,3-dioxolan-2-one
CID 131738683
4-(methylsulfinylmethyl)-1,3-dioxolan-2-one
CID 141304527
4-butyl-1,3-dioxolan-2-one
CID 162009451
4-(3-methylbutyl)-1,3-dioxolan-2-one
CID 138595323
dimethyl carbonate;4-ethyl-1,3-dioxolan-2-one
CID 174821421
4-(aminomethyl)-1,3-dioxolan-2-one
CID 22011126
4-(bromomethyl)-1,3-dioxolan-2-one
CID 13226941
[1,1,2,2-tetrafluoro-3-(2-oxo-1,3-dioxolan-4-yl)propyl] hypofluorite
CID 122599000
(4S)-4-octyl-1,3-dioxolan-2-one
CID 129382353
4-octadecyl-1,3-dioxolan-2-one
CID 139653097

Frequently Asked Questions

What is the IUPAC name of 4-[2-ethyl-2-(hydroxymethyl)butyl]-1,3-dioxolan-2-one?
The IUPAC name of 4-[2-ethyl-2-(hydroxymethyl)butyl]-1,3-dioxolan-2-one (CID 69116194) is 4-[2-ethyl-2-(hydroxymethyl)butyl]-1,3-dioxolan-2-one.
What is the SMILES notation for 4-[2-ethyl-2-(hydroxymethyl)butyl]-1,3-dioxolan-2-one?
The canonical SMILES for 4-[2-ethyl-2-(hydroxymethyl)butyl]-1,3-dioxolan-2-one is CCC(CC)(CO)CC1COC(=O)O1.
What is the InChIKey of 4-[2-ethyl-2-(hydroxymethyl)butyl]-1,3-dioxolan-2-one?
The InChIKey is MZYXEXKRDXCETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-3-10(4-2,7-11)5-8-6-13-9(12)14-8/h8,11H,3-7H2,1-2H3.
What are the key properties of 4-[2-ethyl-2-(hydroxymethyl)butyl]-1,3-dioxolan-2-one?
4-[2-ethyl-2-(hydroxymethyl)butyl]-1,3-dioxolan-2-one has a molecular weight of 202.25 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-ethyl-2-(hydroxymethyl)butyl]-1,3-dioxolan-2-one is sourced from PubChem (CID 69116194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).