(E)-4-methyl-6-methylidenedec-3-ene-2,9-dione

C12H18O2 — CID 5363610

IUPAC(E)-4-methyl-6-methylidenedec-3-ene-2,9-dione
SMILESC=C(CCC(C)=O)C/C(C)=C/C(C)=O
InChIInChI=1S/C12H18O2/c1-9(5-6-11(3)13)7-10(2)8-12(4)14/h8H,1,5-7H2,2-4H3/b10-8+
InChIKeyDKUSGUGZKAZVDN-CSKARUKUSA-N
MW194.27 g/mol
LogP2.84
Rot. Bonds6

About (E)-4-methyl-6-methylidenedec-3-ene-2,9-dione

(E)-4-methyl-6-methylidenedec-3-ene-2,9-dione (PubChem CID 5363610) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is (E)-4-methyl-6-methylidenedec-3-ene-2,9-dione.

Molecular Properties

Compound Name(E)-4-methyl-6-methylidenedec-3-ene-2,9-dione
PubChem CID5363610
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name(E)-4-methyl-6-methylidenedec-3-ene-2,9-dione
SMILESC=C(CCC(C)=O)C/C(C)=C/C(C)=O
InChIInChI=1S/C12H18O2/c1-9(5-6-11(3)13)7-10(2)8-12(4)14/h8H,1,5-7H2,2-4H3/b10-8+
InChIKeyDKUSGUGZKAZVDN-CSKARUKUSA-N
XLogP2.84
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-4-methyl-6-methylidenedec-3-ene-2,9-dione?
The IUPAC name of (E)-4-methyl-6-methylidenedec-3-ene-2,9-dione (CID 5363610) is (E)-4-methyl-6-methylidenedec-3-ene-2,9-dione.
What is the SMILES notation for (E)-4-methyl-6-methylidenedec-3-ene-2,9-dione?
The canonical SMILES for (E)-4-methyl-6-methylidenedec-3-ene-2,9-dione is C=C(CCC(C)=O)C/C(C)=C/C(C)=O.
What is the InChIKey of (E)-4-methyl-6-methylidenedec-3-ene-2,9-dione?
The InChIKey is DKUSGUGZKAZVDN-CSKARUKUSA-N. The full InChI is InChI=1S/C12H18O2/c1-9(5-6-11(3)13)7-10(2)8-12(4)14/h8H,1,5-7H2,2-4H3/b10-8+.
What are the key properties of (E)-4-methyl-6-methylidenedec-3-ene-2,9-dione?
(E)-4-methyl-6-methylidenedec-3-ene-2,9-dione has a molecular weight of 194.27 g/mol, XLogP of 2.84, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-methyl-6-methylidenedec-3-ene-2,9-dione is sourced from PubChem (CID 5363610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).