(Z)-5-methyldec-5-ene-2,4,7,9-tetrone

C11H14O4 — CID 172655041

IUPAC(Z)-5-methyldec-5-ene-2,4,7,9-tetrone
SMILESCC(=O)CC(=O)/C=C(/C)C(=O)CC(C)=O
InChIInChI=1S/C11H14O4/c1-7(11(15)6-9(3)13)4-10(14)5-8(2)12/h4H,5-6H2,1-3H3/b7-4-
InChIKeySPMDXQZJOQABOW-DAXSKMNVSA-N
MW210.23 g/mol
LogP1.03
Rot. Bonds6

About (Z)-5-methyldec-5-ene-2,4,7,9-tetrone

(Z)-5-methyldec-5-ene-2,4,7,9-tetrone (PubChem CID 172655041) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is (Z)-5-methyldec-5-ene-2,4,7,9-tetrone.

Molecular Properties

Compound Name(Z)-5-methyldec-5-ene-2,4,7,9-tetrone
PubChem CID172655041
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name(Z)-5-methyldec-5-ene-2,4,7,9-tetrone
SMILESCC(=O)CC(=O)/C=C(/C)C(=O)CC(C)=O
InChIInChI=1S/C11H14O4/c1-7(11(15)6-9(3)13)4-10(14)5-8(2)12/h4H,5-6H2,1-3H3/b7-4-
InChIKeySPMDXQZJOQABOW-DAXSKMNVSA-N
XLogP1.03
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-5-methyldec-5-ene-2,4,7,9-tetrone?
The IUPAC name of (Z)-5-methyldec-5-ene-2,4,7,9-tetrone (CID 172655041) is (Z)-5-methyldec-5-ene-2,4,7,9-tetrone.
What is the SMILES notation for (Z)-5-methyldec-5-ene-2,4,7,9-tetrone?
The canonical SMILES for (Z)-5-methyldec-5-ene-2,4,7,9-tetrone is CC(=O)CC(=O)/C=C(/C)C(=O)CC(C)=O.
What is the InChIKey of (Z)-5-methyldec-5-ene-2,4,7,9-tetrone?
The InChIKey is SPMDXQZJOQABOW-DAXSKMNVSA-N. The full InChI is InChI=1S/C11H14O4/c1-7(11(15)6-9(3)13)4-10(14)5-8(2)12/h4H,5-6H2,1-3H3/b7-4-.
What are the key properties of (Z)-5-methyldec-5-ene-2,4,7,9-tetrone?
(Z)-5-methyldec-5-ene-2,4,7,9-tetrone has a molecular weight of 210.23 g/mol, XLogP of 1.03, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-methyldec-5-ene-2,4,7,9-tetrone is sourced from PubChem (CID 172655041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).