(2E,5E)-3-ethyl-5,9-dimethyldeca-2,5,9-trien-4-one

C14H22O — CID 10878320

IUPAC(2E,5E)-3-ethyl-5,9-dimethyldeca-2,5,9-trien-4-one
SMILESC=C(C)CC/C=C(\C)C(=O)/C(=C/C)CC
InChIInChI=1S/C14H22O/c1-6-13(7-2)14(15)12(5)10-8-9-11(3)4/h6,10H,3,7-9H2,1-2,4-5H3/b12-10+,13-6+
InChIKeyFNQAQYQTNSJYKP-CZKXXPGYSA-N
MW206.33 g/mol
LogP4.21
Rot. Bonds6

About (2E,5E)-3-ethyl-5,9-dimethyldeca-2,5,9-trien-4-one

(2E,5E)-3-ethyl-5,9-dimethyldeca-2,5,9-trien-4-one (PubChem CID 10878320) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is (2E,5E)-3-ethyl-5,9-dimethyldeca-2,5,9-trien-4-one.

Molecular Properties

Compound Name(2E,5E)-3-ethyl-5,9-dimethyldeca-2,5,9-trien-4-one
PubChem CID10878320
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name(2E,5E)-3-ethyl-5,9-dimethyldeca-2,5,9-trien-4-one
SMILESC=C(C)CC/C=C(\C)C(=O)/C(=C/C)CC
InChIInChI=1S/C14H22O/c1-6-13(7-2)14(15)12(5)10-8-9-11(3)4/h6,10H,3,7-9H2,1-2,4-5H3/b12-10+,13-6+
InChIKeyFNQAQYQTNSJYKP-CZKXXPGYSA-N
XLogP4.21
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 54.21
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'}

Analyze (2E,5E)-3-ethyl-5,9-dimethyldeca-2,5,9-trien-4-one with MolForge

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Related Compounds

(4E)-4,8-dimethylnona-4,8-dien-3-one
CID 20501743
3-ethyl-7-methylocta-3,7-dien-2-one
CID 54536933
(5E)-2,2,5,9-tetramethyl-3-methylidenedeca-5,9-dien-4-one
CID 100994189
2,6-dimethylocta-1,5-diene
CID 54025904
3-ethylpent-3-en-2-one
CID 54009630
N-[(2Z)-6-methylhepta-2,6-dien-2-yl]propan-2-imine
CID 134365006
(4E)-4-methylnona-4,8-dien-3-one
CID 20501818
(2Z,4Z)-3-ethyl-4-methyl-6-methylidenenona-2,4-diene
CID 171555067
ethane;(5E)-2-methylhepta-1,5-diene
CID 143084582
ethane;(3Z,5Z)-5-ethyl-2,4-dimethylhepta-1,3,5-triene
CID 144632740
(5E)-2,6,7,7-tetramethylocta-1,5-diene
CID 144537468
(5E,9E)-2,6,10,14-tetramethylpentadeca-1,5,9,13-tetraene
CID 11758910

Frequently Asked Questions

What is the IUPAC name of (2E,5E)-3-ethyl-5,9-dimethyldeca-2,5,9-trien-4-one?
The IUPAC name of (2E,5E)-3-ethyl-5,9-dimethyldeca-2,5,9-trien-4-one (CID 10878320) is (2E,5E)-3-ethyl-5,9-dimethyldeca-2,5,9-trien-4-one.
What is the SMILES notation for (2E,5E)-3-ethyl-5,9-dimethyldeca-2,5,9-trien-4-one?
The canonical SMILES for (2E,5E)-3-ethyl-5,9-dimethyldeca-2,5,9-trien-4-one is C=C(C)CC/C=C(\C)C(=O)/C(=C/C)CC.
What is the InChIKey of (2E,5E)-3-ethyl-5,9-dimethyldeca-2,5,9-trien-4-one?
The InChIKey is FNQAQYQTNSJYKP-CZKXXPGYSA-N. The full InChI is InChI=1S/C14H22O/c1-6-13(7-2)14(15)12(5)10-8-9-11(3)4/h6,10H,3,7-9H2,1-2,4-5H3/b12-10+,13-6+.
What are the key properties of (2E,5E)-3-ethyl-5,9-dimethyldeca-2,5,9-trien-4-one?
(2E,5E)-3-ethyl-5,9-dimethyldeca-2,5,9-trien-4-one has a molecular weight of 206.33 g/mol, XLogP of 4.21, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5E)-3-ethyl-5,9-dimethyldeca-2,5,9-trien-4-one is sourced from PubChem (CID 10878320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).