(7E,9E)-3,10-dimethyldodeca-7,9,11-trien-4-one

C14H22O — CID 102265677

IUPAC(7E,9E)-3,10-dimethyldodeca-7,9,11-trien-4-one
SMILESC=C/C(C)=C/C=C/CCC(=O)C(C)CC
InChIInChI=1S/C14H22O/c1-5-12(3)10-8-7-9-11-14(15)13(4)6-2/h5,7-8,10,13H,1,6,9,11H2,2-4H3/b8-7+,12-10+
InChIKeyIKBFXVHEJNMHIS-DCXZXJRMSA-N
MW206.33 g/mol
LogP4.07
Rot. Bonds7

About (7E,9E)-3,10-dimethyldodeca-7,9,11-trien-4-one

(7E,9E)-3,10-dimethyldodeca-7,9,11-trien-4-one (PubChem CID 102265677) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is (7E,9E)-3,10-dimethyldodeca-7,9,11-trien-4-one.

Molecular Properties

Compound Name(7E,9E)-3,10-dimethyldodeca-7,9,11-trien-4-one
PubChem CID102265677
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name(7E,9E)-3,10-dimethyldodeca-7,9,11-trien-4-one
SMILESC=C/C(C)=C/C=C/CCC(=O)C(C)CC
InChIInChI=1S/C14H22O/c1-5-12(3)10-8-7-9-11-14(15)13(4)6-2/h5,7-8,10,13H,1,6,9,11H2,2-4H3/b8-7+,12-10+
InChIKeyIKBFXVHEJNMHIS-DCXZXJRMSA-N
XLogP4.07
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (7E,9E)-3,10-dimethyldodeca-7,9,11-trien-4-one?
The IUPAC name of (7E,9E)-3,10-dimethyldodeca-7,9,11-trien-4-one (CID 102265677) is (7E,9E)-3,10-dimethyldodeca-7,9,11-trien-4-one.
What is the SMILES notation for (7E,9E)-3,10-dimethyldodeca-7,9,11-trien-4-one?
The canonical SMILES for (7E,9E)-3,10-dimethyldodeca-7,9,11-trien-4-one is C=C/C(C)=C/C=C/CCC(=O)C(C)CC.
What is the InChIKey of (7E,9E)-3,10-dimethyldodeca-7,9,11-trien-4-one?
The InChIKey is IKBFXVHEJNMHIS-DCXZXJRMSA-N. The full InChI is InChI=1S/C14H22O/c1-5-12(3)10-8-7-9-11-14(15)13(4)6-2/h5,7-8,10,13H,1,6,9,11H2,2-4H3/b8-7+,12-10+.
What are the key properties of (7E,9E)-3,10-dimethyldodeca-7,9,11-trien-4-one?
(7E,9E)-3,10-dimethyldodeca-7,9,11-trien-4-one has a molecular weight of 206.33 g/mol, XLogP of 4.07, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7E,9E)-3,10-dimethyldodeca-7,9,11-trien-4-one is sourced from PubChem (CID 102265677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).