(4E)-6-ethyl-4,6,8-trimethylnona-4,8-dien-3-one

C14H24O — CID 20501703

IUPAC(4E)-6-ethyl-4,6,8-trimethylnona-4,8-dien-3-one
SMILESC=C(C)CC(C)(/C=C(\C)C(=O)CC)CC
InChIInChI=1S/C14H24O/c1-7-13(15)12(5)10-14(6,8-2)9-11(3)4/h10H,3,7-9H2,1-2,4-6H3/b12-10+
InChIKeyDJKDMTBXQAXWLQ-ZRDIBKRKSA-N
MW208.34 g/mol
LogP4.29
Rot. Bonds6

About (4E)-6-ethyl-4,6,8-trimethylnona-4,8-dien-3-one

(4E)-6-ethyl-4,6,8-trimethylnona-4,8-dien-3-one (PubChem CID 20501703) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is (4E)-6-ethyl-4,6,8-trimethylnona-4,8-dien-3-one.

Molecular Properties

Compound Name(4E)-6-ethyl-4,6,8-trimethylnona-4,8-dien-3-one
PubChem CID20501703
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name(4E)-6-ethyl-4,6,8-trimethylnona-4,8-dien-3-one
SMILESC=C(C)CC(C)(/C=C(\C)C(=O)CC)CC
InChIInChI=1S/C14H24O/c1-7-13(15)12(5)10-14(6,8-2)9-11(3)4/h10H,3,7-9H2,1-2,4-6H3/b12-10+
InChIKeyDJKDMTBXQAXWLQ-ZRDIBKRKSA-N
XLogP4.29
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (4E)-6-ethyl-4,6,8-trimethylnona-4,8-dien-3-one?
The IUPAC name of (4E)-6-ethyl-4,6,8-trimethylnona-4,8-dien-3-one (CID 20501703) is (4E)-6-ethyl-4,6,8-trimethylnona-4,8-dien-3-one.
What is the SMILES notation for (4E)-6-ethyl-4,6,8-trimethylnona-4,8-dien-3-one?
The canonical SMILES for (4E)-6-ethyl-4,6,8-trimethylnona-4,8-dien-3-one is C=C(C)CC(C)(/C=C(\C)C(=O)CC)CC.
What is the InChIKey of (4E)-6-ethyl-4,6,8-trimethylnona-4,8-dien-3-one?
The InChIKey is DJKDMTBXQAXWLQ-ZRDIBKRKSA-N. The full InChI is InChI=1S/C14H24O/c1-7-13(15)12(5)10-14(6,8-2)9-11(3)4/h10H,3,7-9H2,1-2,4-6H3/b12-10+.
What are the key properties of (4E)-6-ethyl-4,6,8-trimethylnona-4,8-dien-3-one?
(4E)-6-ethyl-4,6,8-trimethylnona-4,8-dien-3-one has a molecular weight of 208.34 g/mol, XLogP of 4.29, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-6-ethyl-4,6,8-trimethylnona-4,8-dien-3-one is sourced from PubChem (CID 20501703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).