3-(2,6-dimethylhepta-1,5-dienyl)-6,10-dimethylundeca-5,9-dienoyl chloride

C22H35ClO — CID 57090053

IUPAC3-(2,6-dimethylhepta-1,5-dienyl)-6,10-dimethylundeca-5,9-dienoyl chloride
SMILESCC(C)=CCCC(C)=CCC(C=C(C)CCC=C(C)C)CC(=O)Cl
InChIInChI=1S/C22H35ClO/c1-17(2)9-7-11-19(5)13-14-21(16-22(23)24)15-20(6)12-8-10-18(3)4/h9-10,13,15,21H,7-8,11-12,14,16H2,1-6H3
InChIKeyXDXRRBIRDANGNA-UHFFFAOYSA-N
MW350.97 g/mol
LogP7.53
Rot. Bonds11

About 3-(2,6-dimethylhepta-1,5-dienyl)-6,10-dimethylundeca-5,9-dienoyl chloride

3-(2,6-dimethylhepta-1,5-dienyl)-6,10-dimethylundeca-5,9-dienoyl chloride (PubChem CID 57090053) has the molecular formula C22H35ClO and a molecular weight of 350.97 g/mol. Its IUPAC name is 3-(2,6-dimethylhepta-1,5-dienyl)-6,10-dimethylundeca-5,9-dienoyl chloride.

Molecular Properties

Compound Name3-(2,6-dimethylhepta-1,5-dienyl)-6,10-dimethylundeca-5,9-dienoyl chloride
PubChem CID57090053
Molecular FormulaC22H35ClO
Molecular Weight350.97 g/mol
Exact Mass350.24
IUPAC Name3-(2,6-dimethylhepta-1,5-dienyl)-6,10-dimethylundeca-5,9-dienoyl chloride
SMILESCC(C)=CCCC(C)=CCC(C=C(C)CCC=C(C)C)CC(=O)Cl
InChIInChI=1S/C22H35ClO/c1-17(2)9-7-11-19(5)13-14-21(16-22(23)24)15-20(6)12-8-10-18(3)4/h9-10,13,15,21H,7-8,11-12,14,16H2,1-6H3
InChIKeyXDXRRBIRDANGNA-UHFFFAOYSA-N
XLogP7.53
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.97
LogP ≤ 57.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(6E)-4-[(1E)-2,6-dimethylhepta-1,5-dienyl]-7,11-dimethyldodeca-6,10-dien-2-ol
CID 87169768
5,9,13-trimethyltetradeca-4,8,12-trienoyl chloride
CID 54440908
5,9,13-trimethyl-2-(2,6,10-trimethylundeca-1,5,9-trienyl)tetradeca-4,8,12-trienoic acid
CID 54509422
(14E,18E,22E)-2,6,10,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaen-12-ol
CID 88794076
(6E)-8-ethyl-2,6-dimethyldeca-2,6-diene
CID 174724877
8-bromo-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 54461369
(4Z)-2-[(2Z)-3,7-dimethylocta-2,6-dienyl]-5,9-dimethyldeca-4,8-dienoic acid
CID 6476245
(4E,8E)-3-hydroxy-5,9,13-trimethyltetradeca-4,8,12-trienoic acid
CID 19705901
2-[(6E,10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-yl]butanedioic acid
CID 23216777
2-hydroxy-5,9-dimethyldeca-4,8-dienoic acid
CID 173203738
[(2E)-1-acetyloxy-3,7-dimethylocta-2,6-dienyl] acetate
CID 15212203
(5E)-6,10-dimethyl-3-sulfanylundeca-5,9-dienoic acid
CID 88700602

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylhepta-1,5-dienyl)-6,10-dimethylundeca-5,9-dienoyl chloride?
The IUPAC name of 3-(2,6-dimethylhepta-1,5-dienyl)-6,10-dimethylundeca-5,9-dienoyl chloride (CID 57090053) is 3-(2,6-dimethylhepta-1,5-dienyl)-6,10-dimethylundeca-5,9-dienoyl chloride.
What is the SMILES notation for 3-(2,6-dimethylhepta-1,5-dienyl)-6,10-dimethylundeca-5,9-dienoyl chloride?
The canonical SMILES for 3-(2,6-dimethylhepta-1,5-dienyl)-6,10-dimethylundeca-5,9-dienoyl chloride is CC(C)=CCCC(C)=CCC(C=C(C)CCC=C(C)C)CC(=O)Cl.
What is the InChIKey of 3-(2,6-dimethylhepta-1,5-dienyl)-6,10-dimethylundeca-5,9-dienoyl chloride?
The InChIKey is XDXRRBIRDANGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35ClO/c1-17(2)9-7-11-19(5)13-14-21(16-22(23)24)15-20(6)12-8-10-18(3)4/h9-10,13,15,21H,7-8,11-12,14,16H2,1-6H3.
What are the key properties of 3-(2,6-dimethylhepta-1,5-dienyl)-6,10-dimethylundeca-5,9-dienoyl chloride?
3-(2,6-dimethylhepta-1,5-dienyl)-6,10-dimethylundeca-5,9-dienoyl chloride has a molecular weight of 350.97 g/mol, XLogP of 7.53, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylhepta-1,5-dienyl)-6,10-dimethylundeca-5,9-dienoyl chloride is sourced from PubChem (CID 57090053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).