(E)-2,8-dimethylnon-4-ene-3,7-dione

C11H18O2 — CID 58193306

IUPAC(E)-2,8-dimethylnon-4-ene-3,7-dione
SMILESCC(C)C(=O)/C=C/CC(=O)C(C)C
InChIInChI=1S/C11H18O2/c1-8(2)10(12)6-5-7-11(13)9(3)4/h5-6,8-9H,7H2,1-4H3/b6-5+
InChIKeyHULFWMPLENCCQK-AATRIKPKSA-N
MW182.26 g/mol
LogP2.38
Rot. Bonds5

About (E)-2,8-dimethylnon-4-ene-3,7-dione

(E)-2,8-dimethylnon-4-ene-3,7-dione (PubChem CID 58193306) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is (E)-2,8-dimethylnon-4-ene-3,7-dione.

Molecular Properties

Compound Name(E)-2,8-dimethylnon-4-ene-3,7-dione
PubChem CID58193306
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name(E)-2,8-dimethylnon-4-ene-3,7-dione
SMILESCC(C)C(=O)/C=C/CC(=O)C(C)C
InChIInChI=1S/C11H18O2/c1-8(2)10(12)6-5-7-11(13)9(3)4/h5-6,8-9H,7H2,1-4H3/b6-5+
InChIKeyHULFWMPLENCCQK-AATRIKPKSA-N
XLogP2.38
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2,8-dimethylnon-4-ene-3,7-dione?
The IUPAC name of (E)-2,8-dimethylnon-4-ene-3,7-dione (CID 58193306) is (E)-2,8-dimethylnon-4-ene-3,7-dione.
What is the SMILES notation for (E)-2,8-dimethylnon-4-ene-3,7-dione?
The canonical SMILES for (E)-2,8-dimethylnon-4-ene-3,7-dione is CC(C)C(=O)/C=C/CC(=O)C(C)C.
What is the InChIKey of (E)-2,8-dimethylnon-4-ene-3,7-dione?
The InChIKey is HULFWMPLENCCQK-AATRIKPKSA-N. The full InChI is InChI=1S/C11H18O2/c1-8(2)10(12)6-5-7-11(13)9(3)4/h5-6,8-9H,7H2,1-4H3/b6-5+.
What are the key properties of (E)-2,8-dimethylnon-4-ene-3,7-dione?
(E)-2,8-dimethylnon-4-ene-3,7-dione has a molecular weight of 182.26 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,8-dimethylnon-4-ene-3,7-dione is sourced from PubChem (CID 58193306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).