[(Z)-2-methoxyprop-1-enyl] formate

C5H8O3 — CID 142147654

IUPAC[(Z)-2-methoxyprop-1-enyl] formate
SMILESCO/C(C)=C\OC=O
InChIInChI=1S/C5H8O3/c1-5(7-2)3-8-4-6/h3-4H,1-2H3/b5-3-
InChIKeyPCLFREFYKIJHHP-HYXAFXHYSA-N
MW116.12 g/mol
LogP0.67
Rot. Bonds3

About [(Z)-2-methoxyprop-1-enyl] formate

[(Z)-2-methoxyprop-1-enyl] formate (PubChem CID 142147654) has the molecular formula C5H8O3 and a molecular weight of 116.12 g/mol. Its IUPAC name is [(Z)-2-methoxyprop-1-enyl] formate.

Molecular Properties

Compound Name[(Z)-2-methoxyprop-1-enyl] formate
PubChem CID142147654
Molecular FormulaC5H8O3
Molecular Weight116.12 g/mol
Exact Mass116.05
IUPAC Name[(Z)-2-methoxyprop-1-enyl] formate
SMILESCO/C(C)=C\OC=O
InChIInChI=1S/C5H8O3/c1-5(7-2)3-8-4-6/h3-4H,1-2H3/b5-3-
InChIKeyPCLFREFYKIJHHP-HYXAFXHYSA-N
XLogP0.67
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

dimethyl 2-(formyloxymethylidene)propanedioate
CID 54473959
3-methoxybut-2-enoyl chloride
CID 54557484
(Z)-5-methoxyhex-4-en-2-one
CID 87291047
formyl formate
CID 90024423
methyl 4-methoxypent-3-enoate
CID 131857194
(E)-1-chloro-2-methoxyprop-1-ene
CID 5352289
[(Z)-3-methoxybut-2-enyl] acetate
CID 135086169
(Z)-3-methoxybut-2-enethioic S-acid
CID 146597940
(2E)-2-methoxy-6-methylhepta-2,5-diene
CID 143367783
ethane;methyl (2E,4Z)-5-formyloxy-2-methylpenta-2,4-dienoate
CID 142523941
2-(formyloxymethylidene)butanedioic acid
CID 58283072
formyl formate;hydrate
CID 158985007

Frequently Asked Questions

What is the IUPAC name of [(Z)-2-methoxyprop-1-enyl] formate?
The IUPAC name of [(Z)-2-methoxyprop-1-enyl] formate (CID 142147654) is [(Z)-2-methoxyprop-1-enyl] formate.
What is the SMILES notation for [(Z)-2-methoxyprop-1-enyl] formate?
The canonical SMILES for [(Z)-2-methoxyprop-1-enyl] formate is CO/C(C)=C\OC=O.
What is the InChIKey of [(Z)-2-methoxyprop-1-enyl] formate?
The InChIKey is PCLFREFYKIJHHP-HYXAFXHYSA-N. The full InChI is InChI=1S/C5H8O3/c1-5(7-2)3-8-4-6/h3-4H,1-2H3/b5-3-.
What are the key properties of [(Z)-2-methoxyprop-1-enyl] formate?
[(Z)-2-methoxyprop-1-enyl] formate has a molecular weight of 116.12 g/mol, XLogP of 0.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-methoxyprop-1-enyl] formate is sourced from PubChem (CID 142147654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).