ethyl 4-methyl-2-propan-2-ylidenepent-3-enoate

C11H18O2 — CID 15438220

IUPACethyl 4-methyl-2-propan-2-ylidenepent-3-enoate
SMILESCCOC(=O)C(C=C(C)C)=C(C)C
InChIInChI=1S/C11H18O2/c1-6-13-11(12)10(9(4)5)7-8(2)3/h7H,6H2,1-5H3
InChIKeyOJBIXXJWNAEWNI-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.85
Rot. Bonds3

About ethyl 4-methyl-2-propan-2-ylidenepent-3-enoate

ethyl 4-methyl-2-propan-2-ylidenepent-3-enoate (PubChem CID 15438220) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is ethyl 4-methyl-2-propan-2-ylidenepent-3-enoate.

Molecular Properties

Compound Nameethyl 4-methyl-2-propan-2-ylidenepent-3-enoate
PubChem CID15438220
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Nameethyl 4-methyl-2-propan-2-ylidenepent-3-enoate
SMILESCCOC(=O)C(C=C(C)C)=C(C)C
InChIInChI=1S/C11H18O2/c1-6-13-11(12)10(9(4)5)7-8(2)3/h7H,6H2,1-5H3
InChIKeyOJBIXXJWNAEWNI-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

hexyl 4-methyl-2-propan-2-ylidenepent-3-enoate
CID 89361428
2-(2-ethenoxyethoxy)ethyl 4-methyl-2-propan-2-ylidenepent-3-enoate
CID 88560437
diethyl 2-(3-methylbut-2-enylidene)propanedioate
CID 10987948
ethyl (E)-3-amino-2-methanethioylbut-2-enoate
CID 87587152
ethyl 2-oxo(213C)propanoate
CID 71309469
CID 159370772
CID 159370772
ethyl (E)-4-ethoxy-2-oxopent-3-enoate
CID 6385113
3,4-dimethylhexan-3-yl 4-methyl-2-propan-2-ylidenepent-3-enoate
CID 89417553
diethyl oxalate;ethyl acetate
CID 160900883
CID 159689459
CID 159689459
(3-amino-2-ethoxycarbonylbut-2-enylidene)-dimethylazanium
CID 76585554
ethyl 3-amino-2-methylprop-2-enoate
CID 54558291

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-propan-2-ylidenepent-3-enoate?
The IUPAC name of ethyl 4-methyl-2-propan-2-ylidenepent-3-enoate (CID 15438220) is ethyl 4-methyl-2-propan-2-ylidenepent-3-enoate.
What is the SMILES notation for ethyl 4-methyl-2-propan-2-ylidenepent-3-enoate?
The canonical SMILES for ethyl 4-methyl-2-propan-2-ylidenepent-3-enoate is CCOC(=O)C(C=C(C)C)=C(C)C.
What is the InChIKey of ethyl 4-methyl-2-propan-2-ylidenepent-3-enoate?
The InChIKey is OJBIXXJWNAEWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-6-13-11(12)10(9(4)5)7-8(2)3/h7H,6H2,1-5H3.
What are the key properties of ethyl 4-methyl-2-propan-2-ylidenepent-3-enoate?
ethyl 4-methyl-2-propan-2-ylidenepent-3-enoate has a molecular weight of 182.26 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-propan-2-ylidenepent-3-enoate is sourced from PubChem (CID 15438220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).