methyl 4-methoxypent-3-enoate

C7H12O3 — CID 131857194

IUPACmethyl 4-methoxypent-3-enoate
SMILESCOC(=O)CC=C(C)OC
InChIInChI=1S/C7H12O3/c1-6(9-2)4-5-7(8)10-3/h4H,5H2,1-3H3
InChIKeyRBVFEFLOAWIYHJ-UHFFFAOYSA-N
MW144.17 g/mol
LogP1.10
Rot. Bonds3

About methyl 4-methoxypent-3-enoate

methyl 4-methoxypent-3-enoate (PubChem CID 131857194) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is methyl 4-methoxypent-3-enoate.

Molecular Properties

Compound Namemethyl 4-methoxypent-3-enoate
PubChem CID131857194
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Namemethyl 4-methoxypent-3-enoate
SMILESCOC(=O)CC=C(C)OC
InChIInChI=1S/C7H12O3/c1-6(9-2)4-5-7(8)10-3/h4H,5H2,1-3H3
InChIKeyRBVFEFLOAWIYHJ-UHFFFAOYSA-N
XLogP1.10
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

alpha-Angelica lactone
CID 11559
Methyl 3-hexenoate, (3Z)-
CID 5362819
Methyl 3-hexenoate
CID 61311
Methyl (E)-3-hexenoate
CID 5362782
2(3H)-Furanone, 5-ethyl-
CID 281853
Methyl pent-3-enoate
CID 642274
Methyl 3-pentenoate
CID 101865
5-Propyl-2(3H)-furanone
CID 213509
3-Pentenoic acid, 4-methyl-, methyl ester
CID 549735
(Z)-3-Pentenoic acid, methyl ester
CID 5364612
[(Z)-pent-2-en-3-yl] acetate
CID 5314074
3-Acetoxy-3-hexene
CID 57121662

Frequently Asked Questions

What is the IUPAC name of methyl 4-methoxypent-3-enoate?
The IUPAC name of methyl 4-methoxypent-3-enoate (CID 131857194) is methyl 4-methoxypent-3-enoate.
What is the SMILES notation for methyl 4-methoxypent-3-enoate?
The canonical SMILES for methyl 4-methoxypent-3-enoate is COC(=O)CC=C(C)OC.
What is the InChIKey of methyl 4-methoxypent-3-enoate?
The InChIKey is RBVFEFLOAWIYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3/c1-6(9-2)4-5-7(8)10-3/h4H,5H2,1-3H3.
What are the key properties of methyl 4-methoxypent-3-enoate?
methyl 4-methoxypent-3-enoate has a molecular weight of 144.17 g/mol, XLogP of 1.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methoxypent-3-enoate is sourced from PubChem (CID 131857194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).