[(E)-pent-3-en-2-yl] (E)-but-2-enoate

C9H14O2 — CID 14910863

IUPAC[(E)-pent-3-en-2-yl] (E)-but-2-enoate
SMILESC/C=C/C(=O)OC(C)/C=C/C
InChIInChI=1S/C9H14O2/c1-4-6-8(3)11-9(10)7-5-2/h4-8H,1-3H3/b6-4+,7-5+
InChIKeyHJQNOYDQMBSEDP-YDFGWWAZSA-N
MW154.21 g/mol
LogP2.07
Rot. Bonds3

About [(E)-pent-3-en-2-yl] (E)-but-2-enoate

[(E)-pent-3-en-2-yl] (E)-but-2-enoate (PubChem CID 14910863) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is [(E)-pent-3-en-2-yl] (E)-but-2-enoate.

Molecular Properties

Compound Name[(E)-pent-3-en-2-yl] (E)-but-2-enoate
PubChem CID14910863
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name[(E)-pent-3-en-2-yl] (E)-but-2-enoate
SMILESC/C=C/C(=O)OC(C)/C=C/C
InChIInChI=1S/C9H14O2/c1-4-6-8(3)11-9(10)7-5-2/h4-8H,1-3H3/b6-4+,7-5+
InChIKeyHJQNOYDQMBSEDP-YDFGWWAZSA-N
XLogP2.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 52.07
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'}

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Related Compounds

3-[(E)-but-2-enoyl]oxybutan-2-yl (E)-but-2-enoate
CID 101312230
1-sulfanylethyl but-2-enoate
CID 173263515
[(E,2S)-pent-3-en-2-yl] propan-2-yl carbonate
CID 100943003
pent-3-en-2-yl 2,2-dimethylpropanoate
CID 71349437
[(E)-pent-3-en-2-yl] (E)-3-(cyclohexen-1-yl)prop-2-enoate
CID 20709372
3-methylpentan-2-yl but-2-enoate
CID 86762558
1,1,1-trifluoropropan-2-yl but-2-enoate
CID 174544413
[(E,2S)-pent-3-en-2-yl] (E,3S)-3-methylhex-4-enoate
CID 10976411
1,3-dihydroxypropan-2-yl but-2-enoate
CID 151832550
[(E)-pent-3-en-2-yl] (E)-3-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)prop-2-enoate
CID 23568786
1-(2-methylprop-2-enoyloxy)ethyl but-2-enoate
CID 173400140
1-but-2-enoyloxy-2-hydroxypropane-1-sulfonic acid
CID 140981777

Frequently Asked Questions

What is the IUPAC name of [(E)-pent-3-en-2-yl] (E)-but-2-enoate?
The IUPAC name of [(E)-pent-3-en-2-yl] (E)-but-2-enoate (CID 14910863) is [(E)-pent-3-en-2-yl] (E)-but-2-enoate.
What is the SMILES notation for [(E)-pent-3-en-2-yl] (E)-but-2-enoate?
The canonical SMILES for [(E)-pent-3-en-2-yl] (E)-but-2-enoate is C/C=C/C(=O)OC(C)/C=C/C.
What is the InChIKey of [(E)-pent-3-en-2-yl] (E)-but-2-enoate?
The InChIKey is HJQNOYDQMBSEDP-YDFGWWAZSA-N. The full InChI is InChI=1S/C9H14O2/c1-4-6-8(3)11-9(10)7-5-2/h4-8H,1-3H3/b6-4+,7-5+.
What are the key properties of [(E)-pent-3-en-2-yl] (E)-but-2-enoate?
[(E)-pent-3-en-2-yl] (E)-but-2-enoate has a molecular weight of 154.21 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-pent-3-en-2-yl] (E)-but-2-enoate is sourced from PubChem (CID 14910863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).