[(E)-pent-1-enyl] 2-methylprop-2-enoate

C9H14O2 — CID 13444586

IUPAC[(E)-pent-1-enyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)O/C=C/CCC
InChIInChI=1S/C9H14O2/c1-4-5-6-7-11-9(10)8(2)3/h6-7H,2,4-5H2,1,3H3/b7-6+
InChIKeyBQIVQQFTLJPGGJ-VOTSOKGWSA-N
MW154.21 g/mol
LogP2.42
Rot. Bonds4

About [(E)-pent-1-enyl] 2-methylprop-2-enoate

[(E)-pent-1-enyl] 2-methylprop-2-enoate (PubChem CID 13444586) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is [(E)-pent-1-enyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[(E)-pent-1-enyl] 2-methylprop-2-enoate
PubChem CID13444586
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name[(E)-pent-1-enyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)O/C=C/CCC
InChIInChI=1S/C9H14O2/c1-4-5-6-7-11-9(10)8(2)3/h6-7H,2,4-5H2,1,3H3/b7-6+
InChIKeyBQIVQQFTLJPGGJ-VOTSOKGWSA-N
XLogP2.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze [(E)-pent-1-enyl] 2-methylprop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Propenoic acid, 2-methyl-, ethenyl ester
CID 77921
2-Methylprop-1-en-1-yl 2-methylprop-2-enoate
CID 3047927
Ethyl (E)-3-ethoxy-2-methylacrylate
CID 12637823
2-Propenoic acid, 2-methyl-, 3-butenyl ester
CID 549883
Methyl 2-allyl acrylate
CID 331669
cis-Hexenyl tiglate
CID 129848383
Methyl 3-methoxy-2-methyl-acrylate
CID 3019052
Methyl 3-methoxymethacrylate
CID 6365823
Isoprene methyl methacrylate
CID 18993826
Vinyl acetate methyl methacrylate
CID 22003389
Ethyl 2-methylene-4-pentenoate
CID 11829534
Ethyl 2-ethenylidenepent-4-enoate
CID 11954602

Frequently Asked Questions

What is the IUPAC name of [(E)-pent-1-enyl] 2-methylprop-2-enoate?
The IUPAC name of [(E)-pent-1-enyl] 2-methylprop-2-enoate (CID 13444586) is [(E)-pent-1-enyl] 2-methylprop-2-enoate.
What is the SMILES notation for [(E)-pent-1-enyl] 2-methylprop-2-enoate?
The canonical SMILES for [(E)-pent-1-enyl] 2-methylprop-2-enoate is C=C(C)C(=O)O/C=C/CCC.
What is the InChIKey of [(E)-pent-1-enyl] 2-methylprop-2-enoate?
The InChIKey is BQIVQQFTLJPGGJ-VOTSOKGWSA-N. The full InChI is InChI=1S/C9H14O2/c1-4-5-6-7-11-9(10)8(2)3/h6-7H,2,4-5H2,1,3H3/b7-6+.
What are the key properties of [(E)-pent-1-enyl] 2-methylprop-2-enoate?
[(E)-pent-1-enyl] 2-methylprop-2-enoate has a molecular weight of 154.21 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-pent-1-enyl] 2-methylprop-2-enoate is sourced from PubChem (CID 13444586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).