2-(propoxymethyl)prop-2-enal

C7H12O2 — CID 130805109

IUPAC2-(propoxymethyl)prop-2-enal
SMILESC=C(C=O)COCCC
InChIInChI=1S/C7H12O2/c1-3-4-9-6-7(2)5-8/h5H,2-4,6H2,1H3
InChIKeyJGPWSYSLVPPPEI-UHFFFAOYSA-N
MW128.17 g/mol
LogP1.17
Rot. Bonds5

About 2-(propoxymethyl)prop-2-enal

2-(propoxymethyl)prop-2-enal (PubChem CID 130805109) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 2-(propoxymethyl)prop-2-enal.

Molecular Properties

Compound Name2-(propoxymethyl)prop-2-enal
PubChem CID130805109
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name2-(propoxymethyl)prop-2-enal
SMILESC=C(C=O)COCCC
InChIInChI=1S/C7H12O2/c1-3-4-9-6-7(2)5-8/h5H,2-4,6H2,1H3
InChIKeyJGPWSYSLVPPPEI-UHFFFAOYSA-N
XLogP1.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-formylprop-2-enyl propanoate
CID 86109150
2-formylprop-2-enyl hypofluorite
CID 145275919
2,3-dimethyl-1,4-dipropoxybut-2-ene
CID 131851897
ethane-1,2-diol;formic acid;1-propoxypropane
CID 87831538
N-(2-methylprop-2-enyl)-2-propoxyacetamide
CID 104955622
ethane;propane;1-propoxypropane
CID 143757970
3-ethyl-1-propoxypent-3-en-2-one
CID 103447260
1-amino-3-propoxypropan-2-one
CID 116548438
ethane;[2-oxo-2-(2-propoxyethylamino)ethyl]mercury
CID 171823735
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanal
CID 118348553
3-ethoxy-1-propoxypentan-2-one
CID 116707576
propyl (E)-3-methoxy-2-(propoxymethyl)prop-2-enoate
CID 121222895

Frequently Asked Questions

What is the IUPAC name of 2-(propoxymethyl)prop-2-enal?
The IUPAC name of 2-(propoxymethyl)prop-2-enal (CID 130805109) is 2-(propoxymethyl)prop-2-enal.
What is the SMILES notation for 2-(propoxymethyl)prop-2-enal?
The canonical SMILES for 2-(propoxymethyl)prop-2-enal is C=C(C=O)COCCC.
What is the InChIKey of 2-(propoxymethyl)prop-2-enal?
The InChIKey is JGPWSYSLVPPPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2/c1-3-4-9-6-7(2)5-8/h5H,2-4,6H2,1H3.
What are the key properties of 2-(propoxymethyl)prop-2-enal?
2-(propoxymethyl)prop-2-enal has a molecular weight of 128.17 g/mol, XLogP of 1.17, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propoxymethyl)prop-2-enal is sourced from PubChem (CID 130805109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).