ethyl 2-(2-methyl-1,3-dioxolan-2-yl)pent-4-enoate

C11H18O4 — CID 121222616

IUPACethyl 2-(2-methyl-1,3-dioxolan-2-yl)pent-4-enoate
SMILESC=CCC(C(=O)OCC)C1(C)OCCO1
InChIInChI=1S/C11H18O4/c1-4-6-9(10(12)13-5-2)11(3)14-7-8-15-11/h4,9H,1,5-8H2,2-3H3
InChIKeyMJGBOXRVXHRKOI-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.50
Rot. Bonds5

About ethyl 2-(2-methyl-1,3-dioxolan-2-yl)pent-4-enoate

ethyl 2-(2-methyl-1,3-dioxolan-2-yl)pent-4-enoate (PubChem CID 121222616) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is ethyl 2-(2-methyl-1,3-dioxolan-2-yl)pent-4-enoate.

Molecular Properties

Compound Nameethyl 2-(2-methyl-1,3-dioxolan-2-yl)pent-4-enoate
PubChem CID121222616
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Nameethyl 2-(2-methyl-1,3-dioxolan-2-yl)pent-4-enoate
SMILESC=CCC(C(=O)OCC)C1(C)OCCO1
InChIInChI=1S/C11H18O4/c1-4-6-9(10(12)13-5-2)11(3)14-7-8-15-11/h4,9H,1,5-8H2,2-3H3
InChIKeyMJGBOXRVXHRKOI-UHFFFAOYSA-N
XLogP1.50
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.50
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

Ethyl 2-(2-methyl-1,3-dioxan-2-yl)pent-4-enoate
CID 14915896
Ethyl 2-but-3-enyl-2-(2-methyl-1,3-dioxolan-2-yl)hex-5-enoate
CID 23254622
Ethyl 2-(2-methyl-1,3-dioxolan-2-yl)hex-5-enoate
CID 13899462
2-(2-Methyl-1,3-dioxolan-2-yl)pent-4-enoic acid
CID 16724813
Tert-butyl 2-(2-methyl-1,3-dioxolan-2-yl)pent-4-enoate
CID 45258311
2-(2-Methyl-1,3-dioxolan-2-yl)but-3-enoic acid
CID 70308921
2-(2-Methyl-1,3-dioxolan-2-yl)pent-4-enal
CID 89008866
Ethyl 4-bromo-2-(2-methyl-1,3-dioxolan-2-yl)pent-4-enoate
CID 135308497
Methyl 4-bromo-2-(2-methyl-1,3-dioxolan-2-yl)pent-4-enoate
CID 146344741
(2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-enoic acid
CID 150607007
Tert-butyl 2-acetylpent-4-enoate;tert-butyl 2-(2-methyl-1,3-dioxolan-2-yl)pent-4-enoate
CID 159738613
3-Methylhex-5-en-2-one;2-methyl-2-pent-4-en-2-yl-1,3-dioxolane
CID 161211435

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-methyl-1,3-dioxolan-2-yl)pent-4-enoate?
The IUPAC name of ethyl 2-(2-methyl-1,3-dioxolan-2-yl)pent-4-enoate (CID 121222616) is ethyl 2-(2-methyl-1,3-dioxolan-2-yl)pent-4-enoate.
What is the SMILES notation for ethyl 2-(2-methyl-1,3-dioxolan-2-yl)pent-4-enoate?
The canonical SMILES for ethyl 2-(2-methyl-1,3-dioxolan-2-yl)pent-4-enoate is C=CCC(C(=O)OCC)C1(C)OCCO1.
What is the InChIKey of ethyl 2-(2-methyl-1,3-dioxolan-2-yl)pent-4-enoate?
The InChIKey is MJGBOXRVXHRKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4/c1-4-6-9(10(12)13-5-2)11(3)14-7-8-15-11/h4,9H,1,5-8H2,2-3H3.
What are the key properties of ethyl 2-(2-methyl-1,3-dioxolan-2-yl)pent-4-enoate?
ethyl 2-(2-methyl-1,3-dioxolan-2-yl)pent-4-enoate has a molecular weight of 214.26 g/mol, XLogP of 1.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-methyl-1,3-dioxolan-2-yl)pent-4-enoate is sourced from PubChem (CID 121222616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).