2-ethenoxyprop-1-ene;4-methyl-1,3-dioxolan-2-one

C9H14O4 — CID 66850962

IUPAC2-ethenoxyprop-1-ene;4-methyl-1,3-dioxolan-2-one
SMILESC=COC(=C)C.CC1COC(=O)O1
InChIInChI=1S/C5H8O.C4H6O3/c1-4-6-5(2)3;1-3-2-6-4(5)7-3/h4H,1-2H2,3H3;3H,2H2,1H3
InChIKeyISNPCSSYRLTXNQ-UHFFFAOYSA-N
MW186.21 g/mol
LogP2.22
Rot. Bonds2

About 2-ethenoxyprop-1-ene;4-methyl-1,3-dioxolan-2-one

2-ethenoxyprop-1-ene;4-methyl-1,3-dioxolan-2-one (PubChem CID 66850962) has the molecular formula C9H14O4 and a molecular weight of 186.21 g/mol. Its IUPAC name is 2-ethenoxyprop-1-ene;4-methyl-1,3-dioxolan-2-one.

Molecular Properties

Compound Name2-ethenoxyprop-1-ene;4-methyl-1,3-dioxolan-2-one
PubChem CID66850962
Molecular FormulaC9H14O4
Molecular Weight186.21 g/mol
Exact Mass186.09
IUPAC Name2-ethenoxyprop-1-ene;4-methyl-1,3-dioxolan-2-one
SMILESC=COC(=C)C.CC1COC(=O)O1
InChIInChI=1S/C5H8O.C4H6O3/c1-4-6-5(2)3;1-3-2-6-4(5)7-3/h4H,1-2H2,3H3;3H,2H2,1H3
InChIKeyISNPCSSYRLTXNQ-UHFFFAOYSA-N
XLogP2.22
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethenoxyprop-1-ene;4-methyl-1,3-dioxolan-2-one?
The IUPAC name of 2-ethenoxyprop-1-ene;4-methyl-1,3-dioxolan-2-one (CID 66850962) is 2-ethenoxyprop-1-ene;4-methyl-1,3-dioxolan-2-one.
What is the SMILES notation for 2-ethenoxyprop-1-ene;4-methyl-1,3-dioxolan-2-one?
The canonical SMILES for 2-ethenoxyprop-1-ene;4-methyl-1,3-dioxolan-2-one is C=COC(=C)C.CC1COC(=O)O1.
What is the InChIKey of 2-ethenoxyprop-1-ene;4-methyl-1,3-dioxolan-2-one?
The InChIKey is ISNPCSSYRLTXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O.C4H6O3/c1-4-6-5(2)3;1-3-2-6-4(5)7-3/h4H,1-2H2,3H3;3H,2H2,1H3.
What are the key properties of 2-ethenoxyprop-1-ene;4-methyl-1,3-dioxolan-2-one?
2-ethenoxyprop-1-ene;4-methyl-1,3-dioxolan-2-one has a molecular weight of 186.21 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenoxyprop-1-ene;4-methyl-1,3-dioxolan-2-one is sourced from PubChem (CID 66850962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).