methyl 2-ethenylpent-4-enoate

C8H12O2 — CID 10898798

IUPACmethyl 2-ethenylpent-4-enoate
SMILESC=CCC(C=C)C(=O)OC
InChIInChI=1S/C8H12O2/c1-4-6-7(5-2)8(9)10-3/h4-5,7H,1-2,6H2,3H3
InChIKeyUUOPYQZJWLRMPE-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.54
Rot. Bonds4

About methyl 2-ethenylpent-4-enoate

methyl 2-ethenylpent-4-enoate (PubChem CID 10898798) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is methyl 2-ethenylpent-4-enoate.

Molecular Properties

Compound Namemethyl 2-ethenylpent-4-enoate
PubChem CID10898798
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Namemethyl 2-ethenylpent-4-enoate
SMILESC=CCC(C=C)C(=O)OC
InChIInChI=1S/C8H12O2/c1-4-6-7(5-2)8(9)10-3/h4-5,7H,1-2,6H2,3H3
InChIKeyUUOPYQZJWLRMPE-UHFFFAOYSA-N
XLogP1.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Methyl 3,3-dimethyl-4-pentenoate
CID 114129
Ethyl 2-methyl-4-pentenoate
CID 62024
Methyl 4-pentenoate
CID 543664
Dimethyl allylmalonate
CID 574826
Butanoic acid, 2-methyl-, 5-hexen-1-yl ester
CID 58240624
2-Ethylbut-3-enoic acid
CID 18793227
Methyl 2-methyl-3-butenoate
CID 543734
4-Pentenoic acid, 3-methyl-, methyl ester
CID 534895
4-Penten-1-ol, 3-methyl-, 1-acetate
CID 123568
4-Pentenoic acid, 3-methylbutyl ester
CID 3086064
Methyl 2-isopropyl-4-pentenoate
CID 192001
Hex-1-en-1-yl 3-methylbutanoate
CID 71406770

Frequently Asked Questions

What is the IUPAC name of methyl 2-ethenylpent-4-enoate?
The IUPAC name of methyl 2-ethenylpent-4-enoate (CID 10898798) is methyl 2-ethenylpent-4-enoate.
What is the SMILES notation for methyl 2-ethenylpent-4-enoate?
The canonical SMILES for methyl 2-ethenylpent-4-enoate is C=CCC(C=C)C(=O)OC.
What is the InChIKey of methyl 2-ethenylpent-4-enoate?
The InChIKey is UUOPYQZJWLRMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-4-6-7(5-2)8(9)10-3/h4-5,7H,1-2,6H2,3H3.
What are the key properties of methyl 2-ethenylpent-4-enoate?
methyl 2-ethenylpent-4-enoate has a molecular weight of 140.18 g/mol, XLogP of 1.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethenylpent-4-enoate is sourced from PubChem (CID 10898798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).