3-[(E)-pent-3-en-2-yl]pentane-2,4-dione

C10H16O2 — CID 11745028

IUPAC3-[(E)-pent-3-en-2-yl]pentane-2,4-dione
SMILESC/C=C/C(C)C(C(C)=O)C(C)=O
InChIInChI=1S/C10H16O2/c1-5-6-7(2)10(8(3)11)9(4)12/h5-7,10H,1-4H3/b6-5+
InChIKeyQKYGZXHQOSRUTD-AATRIKPKSA-N
MW168.24 g/mol
LogP1.99
Rot. Bonds4

About 3-[(E)-pent-3-en-2-yl]pentane-2,4-dione

3-[(E)-pent-3-en-2-yl]pentane-2,4-dione (PubChem CID 11745028) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 3-[(E)-pent-3-en-2-yl]pentane-2,4-dione.

Molecular Properties

Compound Name3-[(E)-pent-3-en-2-yl]pentane-2,4-dione
PubChem CID11745028
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name3-[(E)-pent-3-en-2-yl]pentane-2,4-dione
SMILESC/C=C/C(C)C(C(C)=O)C(C)=O
InChIInChI=1S/C10H16O2/c1-5-6-7(2)10(8(3)11)9(4)12/h5-7,10H,1-4H3/b6-5+
InChIKeyQKYGZXHQOSRUTD-AATRIKPKSA-N
XLogP1.99
TPSA34.14 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 ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-pent-3-en-2-yl]pentane-2,4-dione?
The IUPAC name of 3-[(E)-pent-3-en-2-yl]pentane-2,4-dione (CID 11745028) is 3-[(E)-pent-3-en-2-yl]pentane-2,4-dione.
What is the SMILES notation for 3-[(E)-pent-3-en-2-yl]pentane-2,4-dione?
The canonical SMILES for 3-[(E)-pent-3-en-2-yl]pentane-2,4-dione is C/C=C/C(C)C(C(C)=O)C(C)=O.
What is the InChIKey of 3-[(E)-pent-3-en-2-yl]pentane-2,4-dione?
The InChIKey is QKYGZXHQOSRUTD-AATRIKPKSA-N. The full InChI is InChI=1S/C10H16O2/c1-5-6-7(2)10(8(3)11)9(4)12/h5-7,10H,1-4H3/b6-5+.
What are the key properties of 3-[(E)-pent-3-en-2-yl]pentane-2,4-dione?
3-[(E)-pent-3-en-2-yl]pentane-2,4-dione has a molecular weight of 168.24 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-pent-3-en-2-yl]pentane-2,4-dione is sourced from PubChem (CID 11745028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).