but-3-enoic acid;2-(prop-2-enoxymethyl)oxirane

C10H16O4 — CID 174888667

IUPACbut-3-enoic acid;2-(prop-2-enoxymethyl)oxirane
SMILESC=CCC(=O)O.C=CCOCC1CO1
InChIInChI=1S/C6H10O2.C4H6O2/c1-2-3-7-4-6-5-8-6;1-2-3-4(5)6/h2,6H,1,3-5H2;2H,1,3H2,(H,5,6)
InChIKeyWZQNVYCJMAZSPS-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.23
Rot. Bonds6

About but-3-enoic acid;2-(prop-2-enoxymethyl)oxirane

but-3-enoic acid;2-(prop-2-enoxymethyl)oxirane (PubChem CID 174888667) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is but-3-enoic acid;2-(prop-2-enoxymethyl)oxirane.

Molecular Properties

Compound Namebut-3-enoic acid;2-(prop-2-enoxymethyl)oxirane
PubChem CID174888667
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Namebut-3-enoic acid;2-(prop-2-enoxymethyl)oxirane
SMILESC=CCC(=O)O.C=CCOCC1CO1
InChIInChI=1S/C6H10O2.C4H6O2/c1-2-3-7-4-6-5-8-6;1-2-3-4(5)6/h2,6H,1,3-5H2;2H,1,3H2,(H,5,6)
InChIKeyWZQNVYCJMAZSPS-UHFFFAOYSA-N
XLogP1.23
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

bis(2-(prop-2-enoxymethyl)oxirane);hydrate
CID 87216937
but-3-enoic acid;ethene;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 175778855
ethene;2-methyloxirane;2-(prop-2-enoxymethyl)oxirane
CID 174606995
methoxysilane;2-(prop-2-enoxymethyl)oxirane
CID 173273777
methoxyethene;2-(prop-2-enoxymethyl)oxirane
CID 174894893
(2S)-2,6-diaminohexanoic acid;2-(prop-2-enoxymethyl)oxirane
CID 131723438
1-(oxiran-2-ylmethoxy)hex-5-en-2-one
CID 123508591
2-(4-prop-2-enoxybutoxymethyl)oxirane
CID 86229247
2-(prop-2-enoxymethyl)oxirane;toluene
CID 174817749
2-(prop-2-enoxymethyl)oxirane;styrene
CID 21400005
2-(oxiran-2-ylmethoxy)ethanol;prop-2-enoic acid
CID 158133207
2-(prop-2-enoxymethyl)-1,4,7,10,13,16-hexaoxacyclooctadecane
CID 13070592

Frequently Asked Questions

What is the IUPAC name of but-3-enoic acid;2-(prop-2-enoxymethyl)oxirane?
The IUPAC name of but-3-enoic acid;2-(prop-2-enoxymethyl)oxirane (CID 174888667) is but-3-enoic acid;2-(prop-2-enoxymethyl)oxirane.
What is the SMILES notation for but-3-enoic acid;2-(prop-2-enoxymethyl)oxirane?
The canonical SMILES for but-3-enoic acid;2-(prop-2-enoxymethyl)oxirane is C=CCC(=O)O.C=CCOCC1CO1.
What is the InChIKey of but-3-enoic acid;2-(prop-2-enoxymethyl)oxirane?
The InChIKey is WZQNVYCJMAZSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2.C4H6O2/c1-2-3-7-4-6-5-8-6;1-2-3-4(5)6/h2,6H,1,3-5H2;2H,1,3H2,(H,5,6).
What are the key properties of but-3-enoic acid;2-(prop-2-enoxymethyl)oxirane?
but-3-enoic acid;2-(prop-2-enoxymethyl)oxirane has a molecular weight of 200.23 g/mol, XLogP of 1.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-enoic acid;2-(prop-2-enoxymethyl)oxirane is sourced from PubChem (CID 174888667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).