ethyl 2-(2-but-3-enyl-1,3-dioxolan-2-yl)acetate

C11H18O4 — CID 14545747

IUPACethyl 2-(2-but-3-enyl-1,3-dioxolan-2-yl)acetate
SMILESC=CCCC1(CC(=O)OCC)OCCO1
InChIInChI=1S/C11H18O4/c1-3-5-6-11(14-7-8-15-11)9-10(12)13-4-2/h3H,1,4-9H2,2H3
InChIKeyIFBOKDXXZCCTFS-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.65
Rot. Bonds6

About ethyl 2-(2-but-3-enyl-1,3-dioxolan-2-yl)acetate

ethyl 2-(2-but-3-enyl-1,3-dioxolan-2-yl)acetate (PubChem CID 14545747) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is ethyl 2-(2-but-3-enyl-1,3-dioxolan-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-but-3-enyl-1,3-dioxolan-2-yl)acetate
PubChem CID14545747
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Nameethyl 2-(2-but-3-enyl-1,3-dioxolan-2-yl)acetate
SMILESC=CCCC1(CC(=O)OCC)OCCO1
InChIInChI=1S/C11H18O4/c1-3-5-6-11(14-7-8-15-11)9-10(12)13-4-2/h3H,1,4-9H2,2H3
InChIKeyIFBOKDXXZCCTFS-UHFFFAOYSA-N
XLogP1.65
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(2R)-but-3-en-2-yl] 2-(2-pent-4-enyl-1,3-dioxolan-2-yl)acetate
CID 11128865
Ethyl 1,4-dioxaspiro[4.5]dec-7-ene-6-carboxylate
CID 11789092
[(2R)-but-3-yn-2-yl] 2-(2-pent-4-enyl-1,3-dioxolan-2-yl)acetate
CID 11807142
2-(2-But-3-enyl-1,3-dioxolan-2-yl)acetic acid
CID 14545748
Methyl 2-(2-pent-4-enyl-1,3-dioxolan-2-yl)acetate
CID 85667171
[(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-enyl] acetate
CID 101441099
methyl (4S,5S)-5-but-3-enyl-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 102195926
methyl (4S,5R)-5-but-3-enyl-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 124672227
methyl (4R,5S)-5-but-3-enyl-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 10353186
Ethyl 2-(2-methyl-1,3-dioxolan-2-yl)hex-5-enoate
CID 13899462
1,3-dioxolan-4-ylmethyl (6Z,9Z,12Z)-octadeca-6,9,12-trienoate
CID 66739132
Methyl 2-(2-methyl-1,3-dioxolan-2-yl)-4-methylidenehexanoate
CID 70554501

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-but-3-enyl-1,3-dioxolan-2-yl)acetate?
The IUPAC name of ethyl 2-(2-but-3-enyl-1,3-dioxolan-2-yl)acetate (CID 14545747) is ethyl 2-(2-but-3-enyl-1,3-dioxolan-2-yl)acetate.
What is the SMILES notation for ethyl 2-(2-but-3-enyl-1,3-dioxolan-2-yl)acetate?
The canonical SMILES for ethyl 2-(2-but-3-enyl-1,3-dioxolan-2-yl)acetate is C=CCCC1(CC(=O)OCC)OCCO1.
What is the InChIKey of ethyl 2-(2-but-3-enyl-1,3-dioxolan-2-yl)acetate?
The InChIKey is IFBOKDXXZCCTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4/c1-3-5-6-11(14-7-8-15-11)9-10(12)13-4-2/h3H,1,4-9H2,2H3.
What are the key properties of ethyl 2-(2-but-3-enyl-1,3-dioxolan-2-yl)acetate?
ethyl 2-(2-but-3-enyl-1,3-dioxolan-2-yl)acetate has a molecular weight of 214.26 g/mol, XLogP of 1.65, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-but-3-enyl-1,3-dioxolan-2-yl)acetate is sourced from PubChem (CID 14545747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).