methyl 2-methylidenebut-3-enoate;(E)-pent-2-ene

C11H18O2 — CID 145190703

IUPACmethyl 2-methylidenebut-3-enoate;(E)-pent-2-ene
SMILESC/C=C/CC.C=CC(=C)C(=O)OC
InChIInChI=1S/C6H8O2.C5H10/c1-4-5(2)6(7)8-3;1-3-5-4-2/h4H,1-2H2,3H3;3,5H,4H2,1-2H3/b;5-3+
InChIKeyVEWISZJOKVSNPF-GWDXERMASA-N
MW182.26 g/mol
LogP2.87
Rot. Bonds3

About methyl 2-methylidenebut-3-enoate;(E)-pent-2-ene

methyl 2-methylidenebut-3-enoate;(E)-pent-2-ene (PubChem CID 145190703) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is methyl 2-methylidenebut-3-enoate;(E)-pent-2-ene.

Molecular Properties

Compound Namemethyl 2-methylidenebut-3-enoate;(E)-pent-2-ene
PubChem CID145190703
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Namemethyl 2-methylidenebut-3-enoate;(E)-pent-2-ene
SMILESC/C=C/CC.C=CC(=C)C(=O)OC
InChIInChI=1S/C6H8O2.C5H10/c1-4-5(2)6(7)8-3;1-3-5-4-2/h4H,1-2H2,3H3;3,5H,4H2,1-2H3/b;5-3+
InChIKeyVEWISZJOKVSNPF-GWDXERMASA-N
XLogP2.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze methyl 2-methylidenebut-3-enoate;(E)-pent-2-ene 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

CID 162303422
CID 162303422
but-1-ene;(Z)-pent-2-ene
CID 156866422
methyl 4-methyl-2-methylidenehexa-3,5-dienoate
CID 173110584
methoxymethane;methyl 2-oxobut-3-enoate;propane
CID 178123671
methyl 2-methylideneoct-3-enoate
CID 174297773
but-2-en-1-ol;methyl prop-2-enoate
CID 174878800
ethane;methyl (E)-2-ethenylpent-2-enoate
CID 142289174
ethane;ethene;(E)-pent-2-ene
CID 154666573
germane;pent-2-ene
CID 174678272
methyl (2Z,4E)-2-(2-methylidenebut-3-enyl)hexa-2,4-dienoate
CID 14531355
nitrous acid;pent-2-ene
CID 87504144
1-O-methyl 6-O-propyl (Z)-2,5-dimethylidenehex-3-enedioate
CID 140963717

Frequently Asked Questions

What is the IUPAC name of methyl 2-methylidenebut-3-enoate;(E)-pent-2-ene?
The IUPAC name of methyl 2-methylidenebut-3-enoate;(E)-pent-2-ene (CID 145190703) is methyl 2-methylidenebut-3-enoate;(E)-pent-2-ene.
What is the SMILES notation for methyl 2-methylidenebut-3-enoate;(E)-pent-2-ene?
The canonical SMILES for methyl 2-methylidenebut-3-enoate;(E)-pent-2-ene is C/C=C/CC.C=CC(=C)C(=O)OC.
What is the InChIKey of methyl 2-methylidenebut-3-enoate;(E)-pent-2-ene?
The InChIKey is VEWISZJOKVSNPF-GWDXERMASA-N. The full InChI is InChI=1S/C6H8O2.C5H10/c1-4-5(2)6(7)8-3;1-3-5-4-2/h4H,1-2H2,3H3;3,5H,4H2,1-2H3/b;5-3+.
What are the key properties of methyl 2-methylidenebut-3-enoate;(E)-pent-2-ene?
methyl 2-methylidenebut-3-enoate;(E)-pent-2-ene has a molecular weight of 182.26 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methylidenebut-3-enoate;(E)-pent-2-ene is sourced from PubChem (CID 145190703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).