(E)-dec-3-en-2-one

C10H18O — CID 5363233

IUPAC(E)-dec-3-en-2-one
SMILESCCCCCC/C=C/C(C)=O
InChIInChI=1S/C10H18O/c1-3-4-5-6-7-8-9-10(2)11/h8-9H,3-7H2,1-2H3/b9-8+
InChIKeyJRPDANVNRUIUAB-CMDGGOBGSA-N
MW154.25 g/mol
LogP3.10
Rot. Bonds6

About (E)-dec-3-en-2-one

(E)-dec-3-en-2-one (PubChem CID 5363233) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is (E)-dec-3-en-2-one.

Molecular Properties

Compound Name(E)-dec-3-en-2-one
PubChem CID5363233
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name(E)-dec-3-en-2-one
SMILESCCCCCC/C=C/C(C)=O
InChIInChI=1S/C10H18O/c1-3-4-5-6-7-8-9-10(2)11/h8-9H,3-7H2,1-2H3/b9-8+
InChIKeyJRPDANVNRUIUAB-CMDGGOBGSA-N
XLogP3.10
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Nonenal
CID 5283335
(Z)-non-2-enal
CID 5354833
3-Octen-2-one
CID 5363229
Pseudoionone
CID 1757003
Non-2-enal
CID 17166
3-Nonen-2-one
CID 5317045
2-Octen-4-one
CID 5365891
3-Hepten-2-one
CID 5364578
2-Nonen-4-one, (2E)-
CID 448996
7-Methyl-3-octen-2-one, (3E)-
CID 5363231
Hept-3-en-2-one
CID 14243
3-Undecen-2-one
CID 6437801

Frequently Asked Questions

What is the IUPAC name of (E)-dec-3-en-2-one?
The IUPAC name of (E)-dec-3-en-2-one (CID 5363233) is (E)-dec-3-en-2-one.
What is the SMILES notation for (E)-dec-3-en-2-one?
The canonical SMILES for (E)-dec-3-en-2-one is CCCCCC/C=C/C(C)=O.
What is the InChIKey of (E)-dec-3-en-2-one?
The InChIKey is JRPDANVNRUIUAB-CMDGGOBGSA-N. The full InChI is InChI=1S/C10H18O/c1-3-4-5-6-7-8-9-10(2)11/h8-9H,3-7H2,1-2H3/b9-8+.
What are the key properties of (E)-dec-3-en-2-one?
(E)-dec-3-en-2-one has a molecular weight of 154.25 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-dec-3-en-2-one is sourced from PubChem (CID 5363233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).