(6E)-5,5,8-trimethylnona-6,8-dienoyl chloride

C12H19ClO — CID 23241830

IUPAC(6E)-5,5,8-trimethylnona-6,8-dienoyl chloride
SMILESC=C(C)/C=C/C(C)(C)CCCC(=O)Cl
InChIInChI=1S/C12H19ClO/c1-10(2)7-9-12(3,4)8-5-6-11(13)14/h7,9H,1,5-6,8H2,2-4H3/b9-7+
InChIKeyKGLUVXLYIRNSGY-VQHVLOKHSA-N
MW214.74 g/mol
LogP4.08
Rot. Bonds6

About (6E)-5,5,8-trimethylnona-6,8-dienoyl chloride

(6E)-5,5,8-trimethylnona-6,8-dienoyl chloride (PubChem CID 23241830) has the molecular formula C12H19ClO and a molecular weight of 214.74 g/mol. Its IUPAC name is (6E)-5,5,8-trimethylnona-6,8-dienoyl chloride.

Molecular Properties

Compound Name(6E)-5,5,8-trimethylnona-6,8-dienoyl chloride
PubChem CID23241830
Molecular FormulaC12H19ClO
Molecular Weight214.74 g/mol
Exact Mass214.11
IUPAC Name(6E)-5,5,8-trimethylnona-6,8-dienoyl chloride
SMILESC=C(C)/C=C/C(C)(C)CCCC(=O)Cl
InChIInChI=1S/C12H19ClO/c1-10(2)7-9-12(3,4)8-5-6-11(13)14/h7,9H,1,5-6,8H2,2-4H3/b9-7+
InChIKeyKGLUVXLYIRNSGY-VQHVLOKHSA-N
XLogP4.08
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.74
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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(E)-8-bromo-6,6-dimethyloct-7-en-2-one
CID 20606267
5-[hydroxy(dimethyl)silyl]-5-methylhexanoyl chloride
CID 87415170
methyl (4E)-3,3,6-trimethylhepta-4,6-dienoate
CID 5370140
8,8-dimethylnonanoyl chloride
CID 154269642
(3E)-2,7,7-trimethylnona-1,3,8-trien-5-ol
CID 14893880
4,4-dimethyl-5-oxohexanoyl chloride
CID 19354061
(6S)-5,5-dimethyl-6-(methylamino)heptanoyl chloride
CID 146300999
3-methylbuta-1,3-dienyl 6,6-dimethylheptanoate
CID 156803685
2,9-dimethyl-5,6-dimethylidenedeca-1,3,7,9-tetraene
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CID 12625790

Frequently Asked Questions

What is the IUPAC name of (6E)-5,5,8-trimethylnona-6,8-dienoyl chloride?
The IUPAC name of (6E)-5,5,8-trimethylnona-6,8-dienoyl chloride (CID 23241830) is (6E)-5,5,8-trimethylnona-6,8-dienoyl chloride.
What is the SMILES notation for (6E)-5,5,8-trimethylnona-6,8-dienoyl chloride?
The canonical SMILES for (6E)-5,5,8-trimethylnona-6,8-dienoyl chloride is C=C(C)/C=C/C(C)(C)CCCC(=O)Cl.
What is the InChIKey of (6E)-5,5,8-trimethylnona-6,8-dienoyl chloride?
The InChIKey is KGLUVXLYIRNSGY-VQHVLOKHSA-N. The full InChI is InChI=1S/C12H19ClO/c1-10(2)7-9-12(3,4)8-5-6-11(13)14/h7,9H,1,5-6,8H2,2-4H3/b9-7+.
What are the key properties of (6E)-5,5,8-trimethylnona-6,8-dienoyl chloride?
(6E)-5,5,8-trimethylnona-6,8-dienoyl chloride has a molecular weight of 214.74 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-5,5,8-trimethylnona-6,8-dienoyl chloride is sourced from PubChem (CID 23241830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).