formaldehyde;3,6,10-trimethylundeca-2,6,9-trien-4-one

C15H24O2 — CID 88788750

IUPACformaldehyde;3,6,10-trimethylundeca-2,6,9-trien-4-one
SMILESC=O.CC=C(C)C(=O)CC(C)=CCC=C(C)C
InChIInChI=1S/C14H22O.CH2O/c1-6-13(5)14(15)10-12(4)9-7-8-11(2)3;1-2/h6,8-9H,7,10H2,1-5H3;1H2
InChIKeyRDEVSSQLNZELCT-UHFFFAOYSA-N
MW236.35 g/mol
LogP4.03
Rot. Bonds5

About formaldehyde;3,6,10-trimethylundeca-2,6,9-trien-4-one

formaldehyde;3,6,10-trimethylundeca-2,6,9-trien-4-one (PubChem CID 88788750) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is formaldehyde;3,6,10-trimethylundeca-2,6,9-trien-4-one.

Molecular Properties

Compound Nameformaldehyde;3,6,10-trimethylundeca-2,6,9-trien-4-one
PubChem CID88788750
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Nameformaldehyde;3,6,10-trimethylundeca-2,6,9-trien-4-one
SMILESC=O.CC=C(C)C(=O)CC(C)=CCC=C(C)C
InChIInChI=1S/C14H22O.CH2O/c1-6-13(5)14(15)10-12(4)9-7-8-11(2)3;1-2/h6,8-9H,7,10H2,1-5H3;1H2
InChIKeyRDEVSSQLNZELCT-UHFFFAOYSA-N
XLogP4.03
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 54.03
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 formaldehyde;3,6,10-trimethylundeca-2,6,9-trien-4-one?
The IUPAC name of formaldehyde;3,6,10-trimethylundeca-2,6,9-trien-4-one (CID 88788750) is formaldehyde;3,6,10-trimethylundeca-2,6,9-trien-4-one.
What is the SMILES notation for formaldehyde;3,6,10-trimethylundeca-2,6,9-trien-4-one?
The canonical SMILES for formaldehyde;3,6,10-trimethylundeca-2,6,9-trien-4-one is C=O.CC=C(C)C(=O)CC(C)=CCC=C(C)C.
What is the InChIKey of formaldehyde;3,6,10-trimethylundeca-2,6,9-trien-4-one?
The InChIKey is RDEVSSQLNZELCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O.CH2O/c1-6-13(5)14(15)10-12(4)9-7-8-11(2)3;1-2/h6,8-9H,7,10H2,1-5H3;1H2.
What are the key properties of formaldehyde;3,6,10-trimethylundeca-2,6,9-trien-4-one?
formaldehyde;3,6,10-trimethylundeca-2,6,9-trien-4-one has a molecular weight of 236.35 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;3,6,10-trimethylundeca-2,6,9-trien-4-one is sourced from PubChem (CID 88788750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).