(2E,4E,6S)-2,4,6-trimethyldeca-2,4-dienoyl chloride

C13H21ClO — CID 10680899

IUPAC(2E,4E,6S)-2,4,6-trimethyldeca-2,4-dienoyl chloride
SMILESCCCC[C@H](C)/C=C(C)/C=C(\C)C(=O)Cl
InChIInChI=1S/C13H21ClO/c1-5-6-7-10(2)8-11(3)9-12(4)13(14)15/h8-10H,5-7H2,1-4H3/b11-8+,12-9+/t10-/m0/s1
InChIKeySACDZYQOFNHZPE-RYTZGZMESA-N
MW228.76 g/mol
LogP4.47
Rot. Bonds6

About (2E,4E,6S)-2,4,6-trimethyldeca-2,4-dienoyl chloride

(2E,4E,6S)-2,4,6-trimethyldeca-2,4-dienoyl chloride (PubChem CID 10680899) has the molecular formula C13H21ClO and a molecular weight of 228.76 g/mol. Its IUPAC name is (2E,4E,6S)-2,4,6-trimethyldeca-2,4-dienoyl chloride.

Molecular Properties

Compound Name(2E,4E,6S)-2,4,6-trimethyldeca-2,4-dienoyl chloride
PubChem CID10680899
Molecular FormulaC13H21ClO
Molecular Weight228.76 g/mol
Exact Mass228.13
IUPAC Name(2E,4E,6S)-2,4,6-trimethyldeca-2,4-dienoyl chloride
SMILESCCCC[C@H](C)/C=C(C)/C=C(\C)C(=O)Cl
InChIInChI=1S/C13H21ClO/c1-5-6-7-10(2)8-11(3)9-12(4)13(14)15/h8-10H,5-7H2,1-4H3/b11-8+,12-9+/t10-/m0/s1
InChIKeySACDZYQOFNHZPE-RYTZGZMESA-N
XLogP4.47
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.76
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2E,4E,6R)-2,4,6-trimethyldeca-2,4-dienamide
CID 162953444
(4E,6E)-2,2,4,6,8-pentamethyldodeca-4,6-dien-3-one
CID 58017793
(4E,6E)-6,8-dimethyldodeca-4,6-dien-3-one
CID 89128729
3-[(2E,4E,6R)-4,6-dimethyldeca-2,4-dien-2-yl]oxiran-2-amine
CID 163977699
(2E,4E,6S)-N-[(1R,6S)-2,5-dioxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]-2,4,6-trimethyldeca-2,4-dienamide
CID 10616501
(Z)-4-ethyl-2-methyloct-2-enoic acid
CID 5354816
(2E,5E)-4-butyl-2,6-dimethylhepta-2,5-dienedioic acid
CID 87997943
ethyl (E)-2,4-dimethylhenicos-2-enoate
CID 5369344
2,4-dimethyldec-2-ene
CID 522542
hexadecyl 2,4-dimethyltetradec-2-enoate
CID 174832460
(E)-2-acetyl-4-methyltridec-2-enoic acid
CID 134540683
4-methylnon-2-en-2-yl propanoate
CID 86616919

Frequently Asked Questions

What is the IUPAC name of (2E,4E,6S)-2,4,6-trimethyldeca-2,4-dienoyl chloride?
The IUPAC name of (2E,4E,6S)-2,4,6-trimethyldeca-2,4-dienoyl chloride (CID 10680899) is (2E,4E,6S)-2,4,6-trimethyldeca-2,4-dienoyl chloride.
What is the SMILES notation for (2E,4E,6S)-2,4,6-trimethyldeca-2,4-dienoyl chloride?
The canonical SMILES for (2E,4E,6S)-2,4,6-trimethyldeca-2,4-dienoyl chloride is CCCC[C@H](C)/C=C(C)/C=C(\C)C(=O)Cl.
What is the InChIKey of (2E,4E,6S)-2,4,6-trimethyldeca-2,4-dienoyl chloride?
The InChIKey is SACDZYQOFNHZPE-RYTZGZMESA-N. The full InChI is InChI=1S/C13H21ClO/c1-5-6-7-10(2)8-11(3)9-12(4)13(14)15/h8-10H,5-7H2,1-4H3/b11-8+,12-9+/t10-/m0/s1.
What are the key properties of (2E,4E,6S)-2,4,6-trimethyldeca-2,4-dienoyl chloride?
(2E,4E,6S)-2,4,6-trimethyldeca-2,4-dienoyl chloride has a molecular weight of 228.76 g/mol, XLogP of 4.47, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6S)-2,4,6-trimethyldeca-2,4-dienoyl chloride is sourced from PubChem (CID 10680899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).