ethyl 2-propylpenta-2,4-dienoate

C10H16O2 — CID 57359024

IUPACethyl 2-propylpenta-2,4-dienoate
SMILESC=CC=C(CCC)C(=O)OCC
InChIInChI=1S/C10H16O2/c1-4-7-9(8-5-2)10(11)12-6-3/h4,7H,1,5-6,8H2,2-3H3
InChIKeyMJXKYSPVKPCALE-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.46
Rot. Bonds5

About ethyl 2-propylpenta-2,4-dienoate

ethyl 2-propylpenta-2,4-dienoate (PubChem CID 57359024) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is ethyl 2-propylpenta-2,4-dienoate.

Molecular Properties

Compound Nameethyl 2-propylpenta-2,4-dienoate
PubChem CID57359024
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Nameethyl 2-propylpenta-2,4-dienoate
SMILESC=CC=C(CCC)C(=O)OCC
InChIInChI=1S/C10H16O2/c1-4-7-9(8-5-2)10(11)12-6-3/h4,7H,1,5-6,8H2,2-3H3
InChIKeyMJXKYSPVKPCALE-UHFFFAOYSA-N
XLogP2.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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

Ethyl 2,4-decadienoate, (2E,4Z)-
CID 5281162
Geranyl tiglate
CID 5367785
2,4-Decadienoic acid, ethyl ester, (2E,4E)-
CID 5371455
Geranyl valerate
CID 5365850
Propyl 2,4-decadienoate, (2E,4E)-
CID 5362592
2-Hexenyl pentanoate, (2E)-
CID 5352974
Neryl valerate
CID 6436375
(,E)-3,7-Dimethyl-2,6-octadienyl 2-butenoate
CID 5980396
Propyl deca-2,4-dienoate
CID 119922
Propyl (2E,4Z)-2,4-decadienoate
CID 6438200
1,3-Cyclohexadiene-1-carboxylic acid, 2,6,6-trimethyl-, ethyl ester
CID 118201
butyl (2E,4Z)-2,4-decadienoate
CID 6438203

Frequently Asked Questions

What is the IUPAC name of ethyl 2-propylpenta-2,4-dienoate?
The IUPAC name of ethyl 2-propylpenta-2,4-dienoate (CID 57359024) is ethyl 2-propylpenta-2,4-dienoate.
What is the SMILES notation for ethyl 2-propylpenta-2,4-dienoate?
The canonical SMILES for ethyl 2-propylpenta-2,4-dienoate is C=CC=C(CCC)C(=O)OCC.
What is the InChIKey of ethyl 2-propylpenta-2,4-dienoate?
The InChIKey is MJXKYSPVKPCALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-4-7-9(8-5-2)10(11)12-6-3/h4,7H,1,5-6,8H2,2-3H3.
What are the key properties of ethyl 2-propylpenta-2,4-dienoate?
ethyl 2-propylpenta-2,4-dienoate has a molecular weight of 168.24 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-propylpenta-2,4-dienoate is sourced from PubChem (CID 57359024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).