(6E)-7,9,11-trimethyl-5-methyliminododeca-6,10-dien-4-one

C16H27NO — CID 129066203

IUPAC(6E)-7,9,11-trimethyl-5-methyliminododeca-6,10-dien-4-one
SMILESCCCC(=O)C(/C=C(\C)CC(C)C=C(C)C)=N\C
InChIInChI=1S/C16H27NO/c1-7-8-16(18)15(17-6)11-14(5)10-13(4)9-12(2)3/h9,11,13H,7-8,10H2,1-6H3/b14-11+,17-15-
InChIKeyUPDUMKVVSOJPAI-VDRZCLTPSA-N
MW249.40 g/mol
LogP4.37
Rot. Bonds7

About (6E)-7,9,11-trimethyl-5-methyliminododeca-6,10-dien-4-one

(6E)-7,9,11-trimethyl-5-methyliminododeca-6,10-dien-4-one (PubChem CID 129066203) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is (6E)-7,9,11-trimethyl-5-methyliminododeca-6,10-dien-4-one.

Molecular Properties

Compound Name(6E)-7,9,11-trimethyl-5-methyliminododeca-6,10-dien-4-one
PubChem CID129066203
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name(6E)-7,9,11-trimethyl-5-methyliminododeca-6,10-dien-4-one
SMILESCCCC(=O)C(/C=C(\C)CC(C)C=C(C)C)=N\C
InChIInChI=1S/C16H27NO/c1-7-8-16(18)15(17-6)11-14(5)10-13(4)9-12(2)3/h9,11,13H,7-8,10H2,1-6H3/b14-11+,17-15-
InChIKeyUPDUMKVVSOJPAI-VDRZCLTPSA-N
XLogP4.37
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6E)-7,9,11-trimethyl-5-methyliminododeca-6,10-dien-4-one?
The IUPAC name of (6E)-7,9,11-trimethyl-5-methyliminododeca-6,10-dien-4-one (CID 129066203) is (6E)-7,9,11-trimethyl-5-methyliminododeca-6,10-dien-4-one.
What is the SMILES notation for (6E)-7,9,11-trimethyl-5-methyliminododeca-6,10-dien-4-one?
The canonical SMILES for (6E)-7,9,11-trimethyl-5-methyliminododeca-6,10-dien-4-one is CCCC(=O)C(/C=C(\C)CC(C)C=C(C)C)=N\C.
What is the InChIKey of (6E)-7,9,11-trimethyl-5-methyliminododeca-6,10-dien-4-one?
The InChIKey is UPDUMKVVSOJPAI-VDRZCLTPSA-N. The full InChI is InChI=1S/C16H27NO/c1-7-8-16(18)15(17-6)11-14(5)10-13(4)9-12(2)3/h9,11,13H,7-8,10H2,1-6H3/b14-11+,17-15-.
What are the key properties of (6E)-7,9,11-trimethyl-5-methyliminododeca-6,10-dien-4-one?
(6E)-7,9,11-trimethyl-5-methyliminododeca-6,10-dien-4-one has a molecular weight of 249.40 g/mol, XLogP of 4.37, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-7,9,11-trimethyl-5-methyliminododeca-6,10-dien-4-one is sourced from PubChem (CID 129066203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).