(2E,4E)-3,8,13-trimethyltetradeca-2,4-dienoyl chloride

C17H29ClO — CID 21437736

IUPAC(2E,4E)-3,8,13-trimethyltetradeca-2,4-dienoyl chloride
SMILESCC(/C=C/CCC(C)CCCCC(C)C)=C\C(=O)Cl
InChIInChI=1S/C17H29ClO/c1-14(2)9-5-6-10-15(3)11-7-8-12-16(4)13-17(18)19/h8,12-15H,5-7,9-11H2,1-4H3/b12-8+,16-13+
InChIKeyGNCJYSPKSZPLLS-UEVLXMDPSA-N
MW284.87 g/mol
LogP5.89
Rot. Bonds10

About (2E,4E)-3,8,13-trimethyltetradeca-2,4-dienoyl chloride

(2E,4E)-3,8,13-trimethyltetradeca-2,4-dienoyl chloride (PubChem CID 21437736) has the molecular formula C17H29ClO and a molecular weight of 284.87 g/mol. Its IUPAC name is (2E,4E)-3,8,13-trimethyltetradeca-2,4-dienoyl chloride.

Molecular Properties

Compound Name(2E,4E)-3,8,13-trimethyltetradeca-2,4-dienoyl chloride
PubChem CID21437736
Molecular FormulaC17H29ClO
Molecular Weight284.87 g/mol
Exact Mass284.19
IUPAC Name(2E,4E)-3,8,13-trimethyltetradeca-2,4-dienoyl chloride
SMILESCC(/C=C/CCC(C)CCCCC(C)C)=C\C(=O)Cl
InChIInChI=1S/C17H29ClO/c1-14(2)9-5-6-10-15(3)11-7-8-12-16(4)13-17(18)19/h8,12-15H,5-7,9-11H2,1-4H3/b12-8+,16-13+
InChIKeyGNCJYSPKSZPLLS-UEVLXMDPSA-N
XLogP5.89
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.87
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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)-3,7,11-trimethyltrideca-2,4-dienoyl chloride
CID 21437686
3,7,11-trimethyltrideca-2,4-dienoyl chloride
CID 54318105
10-methylundec-3-en-2-one
CID 154192046
potassium (2E,4E)-3,7,11-trimethyldodeca-2,4-dienoate
CID 23666617
3,7,11,15-tetramethylhexadeca-1,3-dien-1-ol
CID 71372083
(5R,9R)-5,9,13-trimethyltetradecanoyl chloride
CID 118035354
2,6,10-trimethylundec-2-ene
CID 14805750
(2E,4E,8S)-3,8,12-trimethyltrideca-2,4,11-triene
CID 134982878
(2E)-3,7,11-trimethyldodeca-2,4-diene
CID 175358855
9-methyldec-2-enethioic S-acid
CID 175046578
CID 170924185
CID 170924185
germane;(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoic acid
CID 174380036

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-3,8,13-trimethyltetradeca-2,4-dienoyl chloride?
The IUPAC name of (2E,4E)-3,8,13-trimethyltetradeca-2,4-dienoyl chloride (CID 21437736) is (2E,4E)-3,8,13-trimethyltetradeca-2,4-dienoyl chloride.
What is the SMILES notation for (2E,4E)-3,8,13-trimethyltetradeca-2,4-dienoyl chloride?
The canonical SMILES for (2E,4E)-3,8,13-trimethyltetradeca-2,4-dienoyl chloride is CC(/C=C/CCC(C)CCCCC(C)C)=C\C(=O)Cl.
What is the InChIKey of (2E,4E)-3,8,13-trimethyltetradeca-2,4-dienoyl chloride?
The InChIKey is GNCJYSPKSZPLLS-UEVLXMDPSA-N. The full InChI is InChI=1S/C17H29ClO/c1-14(2)9-5-6-10-15(3)11-7-8-12-16(4)13-17(18)19/h8,12-15H,5-7,9-11H2,1-4H3/b12-8+,16-13+.
What are the key properties of (2E,4E)-3,8,13-trimethyltetradeca-2,4-dienoyl chloride?
(2E,4E)-3,8,13-trimethyltetradeca-2,4-dienoyl chloride has a molecular weight of 284.87 g/mol, XLogP of 5.89, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-3,8,13-trimethyltetradeca-2,4-dienoyl chloride is sourced from PubChem (CID 21437736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).