(2E,6Z)-1-chloro-3,11-dimethyl-7-(3-methylbut-2-enyl)dodeca-2,6,10-triene

C19H31Cl — CID 58792351

IUPAC(2E,6Z)-1-chloro-3,11-dimethyl-7-(3-methylbut-2-enyl)dodeca-2,6,10-triene
SMILESCC(C)=CCC/C(=C/CC/C(C)=C/CCl)CC=C(C)C
InChIInChI=1S/C19H31Cl/c1-16(2)8-6-10-19(13-12-17(3)4)11-7-9-18(5)14-15-20/h8,11-12,14H,6-7,9-10,13,15H2,1-5H3/b18-14+,19-11-
InChIKeyLBZZMRVWIMDMJK-QCHOSADPSA-N
MW294.91 g/mol
LogP6.98
Rot. Bonds9

About (2E,6Z)-1-chloro-3,11-dimethyl-7-(3-methylbut-2-enyl)dodeca-2,6,10-triene

(2E,6Z)-1-chloro-3,11-dimethyl-7-(3-methylbut-2-enyl)dodeca-2,6,10-triene (PubChem CID 58792351) has the molecular formula C19H31Cl and a molecular weight of 294.91 g/mol. Its IUPAC name is (2E,6Z)-1-chloro-3,11-dimethyl-7-(3-methylbut-2-enyl)dodeca-2,6,10-triene.

Molecular Properties

Compound Name(2E,6Z)-1-chloro-3,11-dimethyl-7-(3-methylbut-2-enyl)dodeca-2,6,10-triene
PubChem CID58792351
Molecular FormulaC19H31Cl
Molecular Weight294.91 g/mol
Exact Mass294.21
IUPAC Name(2E,6Z)-1-chloro-3,11-dimethyl-7-(3-methylbut-2-enyl)dodeca-2,6,10-triene
SMILESCC(C)=CCC/C(=C/CC/C(C)=C/CCl)CC=C(C)C
InChIInChI=1S/C19H31Cl/c1-16(2)8-6-10-19(13-12-17(3)4)11-7-9-18(5)14-15-20/h8,11-12,14H,6-7,9-10,13,15H2,1-5H3/b18-14+,19-11-
InChIKeyLBZZMRVWIMDMJK-QCHOSADPSA-N
XLogP6.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.91
LogP ≤ 56.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(2E,6Z)-1-chloro-3,7,11-trimethyldodeca-2,6,10-triene
CID 10752589
(2E,6E,10E,14E,18E,22E,26E,30E,34E)-1-chloro-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaene
CID 13174780
(2E)-1-chloro-1-deuterio-3,7-dimethylocta-2,6-diene
CID 10535222
(10E)-13-chloro-2,6,10-trimethyltrideca-2,6,10-triene
CID 118038499
(6E)-9-chloro-2,6-dimethylnona-2,6-diene
CID 101240427
(10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 173158415
(14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 131954652
(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 24871318
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782
carbon dioxide;(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 174737986
12-chloro-2,6,10-trimethyldodeca-2,6,9-triene
CID 176889443
5,9,13-trimethyltetradeca-4,8,12-trienoyl chloride
CID 54440908

Frequently Asked Questions

What is the IUPAC name of (2E,6Z)-1-chloro-3,11-dimethyl-7-(3-methylbut-2-enyl)dodeca-2,6,10-triene?
The IUPAC name of (2E,6Z)-1-chloro-3,11-dimethyl-7-(3-methylbut-2-enyl)dodeca-2,6,10-triene (CID 58792351) is (2E,6Z)-1-chloro-3,11-dimethyl-7-(3-methylbut-2-enyl)dodeca-2,6,10-triene.
What is the SMILES notation for (2E,6Z)-1-chloro-3,11-dimethyl-7-(3-methylbut-2-enyl)dodeca-2,6,10-triene?
The canonical SMILES for (2E,6Z)-1-chloro-3,11-dimethyl-7-(3-methylbut-2-enyl)dodeca-2,6,10-triene is CC(C)=CCC/C(=C/CC/C(C)=C/CCl)CC=C(C)C.
What is the InChIKey of (2E,6Z)-1-chloro-3,11-dimethyl-7-(3-methylbut-2-enyl)dodeca-2,6,10-triene?
The InChIKey is LBZZMRVWIMDMJK-QCHOSADPSA-N. The full InChI is InChI=1S/C19H31Cl/c1-16(2)8-6-10-19(13-12-17(3)4)11-7-9-18(5)14-15-20/h8,11-12,14H,6-7,9-10,13,15H2,1-5H3/b18-14+,19-11-.
What are the key properties of (2E,6Z)-1-chloro-3,11-dimethyl-7-(3-methylbut-2-enyl)dodeca-2,6,10-triene?
(2E,6Z)-1-chloro-3,11-dimethyl-7-(3-methylbut-2-enyl)dodeca-2,6,10-triene has a molecular weight of 294.91 g/mol, XLogP of 6.98, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6Z)-1-chloro-3,11-dimethyl-7-(3-methylbut-2-enyl)dodeca-2,6,10-triene is sourced from PubChem (CID 58792351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).