(E)-5-prop-2-enoxypent-3-en-2-one

C8H12O2 — CID 45085584

IUPAC(E)-5-prop-2-enoxypent-3-en-2-one
SMILESC=CCOC/C=C/C(C)=O
InChIInChI=1S/C8H12O2/c1-3-6-10-7-4-5-8(2)9/h3-5H,1,6-7H2,2H3/b5-4+
InChIKeyAWMTUBUSQNZVRO-SNAWJCMRSA-N
MW140.18 g/mol
LogP1.33
Rot. Bonds5

About (E)-5-prop-2-enoxypent-3-en-2-one

(E)-5-prop-2-enoxypent-3-en-2-one (PubChem CID 45085584) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is (E)-5-prop-2-enoxypent-3-en-2-one.

Molecular Properties

Compound Name(E)-5-prop-2-enoxypent-3-en-2-one
PubChem CID45085584
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name(E)-5-prop-2-enoxypent-3-en-2-one
SMILESC=CCOC/C=C/C(C)=O
InChIInChI=1S/C8H12O2/c1-3-6-10-7-4-5-8(2)9/h3-5H,1,6-7H2,2H3/b5-4+
InChIKeyAWMTUBUSQNZVRO-SNAWJCMRSA-N
XLogP1.33
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

carbonic acid;prop-1-ene;3-prop-2-enoxyprop-1-ene
CID 87667724
(E)-5-[(E)-3-phenylprop-2-enoxy]pent-3-en-2-one
CID 11310468
deca-3,6,9-trien-2-one
CID 139932510
(E)-5-phenylmethoxypent-3-en-2-one
CID 11095410
3-methyl-1-prop-2-enoxybut-2-ene
CID 11366991
tris(prop-1-ene);3-prop-2-enoxyprop-1-ene
CID 175414947
CID 87625662
CID 87625662
Potassium allyloxide
CID 87828396
2-hydroxypropanethioic S-acid;3-prop-2-enoxyprop-1-ene
CID 86631788
methyl (E)-2-hydroperoxy-2-methyl-5-prop-2-enoxypent-3-enoate
CID 59941638
ethyl (E)-4-but-3-enoxybut-2-enoate
CID 80545662
2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethyl acetate
CID 525183

Frequently Asked Questions

What is the IUPAC name of (E)-5-prop-2-enoxypent-3-en-2-one?
The IUPAC name of (E)-5-prop-2-enoxypent-3-en-2-one (CID 45085584) is (E)-5-prop-2-enoxypent-3-en-2-one.
What is the SMILES notation for (E)-5-prop-2-enoxypent-3-en-2-one?
The canonical SMILES for (E)-5-prop-2-enoxypent-3-en-2-one is C=CCOC/C=C/C(C)=O.
What is the InChIKey of (E)-5-prop-2-enoxypent-3-en-2-one?
The InChIKey is AWMTUBUSQNZVRO-SNAWJCMRSA-N. The full InChI is InChI=1S/C8H12O2/c1-3-6-10-7-4-5-8(2)9/h3-5H,1,6-7H2,2H3/b5-4+.
What are the key properties of (E)-5-prop-2-enoxypent-3-en-2-one?
(E)-5-prop-2-enoxypent-3-en-2-one has a molecular weight of 140.18 g/mol, XLogP of 1.33, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-prop-2-enoxypent-3-en-2-one is sourced from PubChem (CID 45085584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).