ethyl (E)-2-[(E)-prop-1-enyl]pent-2-enoate

C10H16O2 — CID 46873133

IUPACethyl (E)-2-[(E)-prop-1-enyl]pent-2-enoate
SMILESC/C=C/C(=C\CC)C(=O)OCC
InChIInChI=1S/C10H16O2/c1-4-7-9(8-5-2)10(11)12-6-3/h4,7-8H,5-6H2,1-3H3/b7-4+,9-8+
InChIKeyFKTAYPPPTCPRQL-NUXDXBQRSA-N
MW168.24 g/mol
LogP2.46
Rot. Bonds4

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

ethyl (E)-2-[(E)-prop-1-enyl]pent-2-enoate (PubChem CID 46873133) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is ethyl (E)-2-[(E)-prop-1-enyl]pent-2-enoate.

Molecular Properties

Compound Nameethyl (E)-2-[(E)-prop-1-enyl]pent-2-enoate
PubChem CID46873133
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Nameethyl (E)-2-[(E)-prop-1-enyl]pent-2-enoate
SMILESC/C=C/C(=C\CC)C(=O)OCC
InChIInChI=1S/C10H16O2/c1-4-7-9(8-5-2)10(11)12-6-3/h4,7-8H,5-6H2,1-3H3/b7-4+,9-8+
InChIKeyFKTAYPPPTCPRQL-NUXDXBQRSA-N
XLogP2.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.46
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

methylamino (E)-2-[(Z)-prop-1-enyl]pent-2-enoate
CID 163442754
(E)-2-[(E)-prop-1-enyl]pent-2-enoic acid
CID 14178880
ethyl (E)-but-2-enoate;methanamine
CID 88817268
ethyl (E)-2-methylpent-2-enoate
CID 6436311
ethyl 2-ethenylbut-2-enoate
CID 123198246
ethyl (Z)-2-fluoropent-2-enoate
CID 14691806
diethyl 2-ethylidene-3-oxobutanedioate
CID 123295779
ethyl 2-(hexa-2,4-dien-3-ylamino)-2-oxoacetate
CID 90908970
(2-ethoxy-2-oxoethyl) (E)-but-2-enoate
CID 22635026
ethyl 2-tert-butylpent-2-enoate
CID 174841205
2-methoxyethyl 2-ethylidenepent-3-enoate
CID 123997768
diethyl (E)-(1,2,3,4-13C4)but-2-enedioate
CID 11298268

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-2-[(E)-prop-1-enyl]pent-2-enoate?
The IUPAC name of ethyl (E)-2-[(E)-prop-1-enyl]pent-2-enoate (CID 46873133) is ethyl (E)-2-[(E)-prop-1-enyl]pent-2-enoate.
What is the SMILES notation for ethyl (E)-2-[(E)-prop-1-enyl]pent-2-enoate?
The canonical SMILES for ethyl (E)-2-[(E)-prop-1-enyl]pent-2-enoate is C/C=C/C(=C\CC)C(=O)OCC.
What is the InChIKey of ethyl (E)-2-[(E)-prop-1-enyl]pent-2-enoate?
The InChIKey is FKTAYPPPTCPRQL-NUXDXBQRSA-N. The full InChI is InChI=1S/C10H16O2/c1-4-7-9(8-5-2)10(11)12-6-3/h4,7-8H,5-6H2,1-3H3/b7-4+,9-8+.
What are the key properties of ethyl (E)-2-[(E)-prop-1-enyl]pent-2-enoate?
ethyl (E)-2-[(E)-prop-1-enyl]pent-2-enoate has a molecular weight of 168.24 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-2-[(E)-prop-1-enyl]pent-2-enoate is sourced from PubChem (CID 46873133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).