(2Z,6Z)-1-chloro-12-methoxy-2,6,10-trimethyldodeca-2,6-diene

C16H29ClO — CID 88656729

IUPAC(2Z,6Z)-1-chloro-12-methoxy-2,6,10-trimethyldodeca-2,6-diene
SMILESCOCCC(C)CC/C=C(/C)CC/C=C(/C)CCl
InChIInChI=1S/C16H29ClO/c1-14(8-6-10-16(3)13-17)7-5-9-15(2)11-12-18-4/h7,10,15H,5-6,8-9,11-13H2,1-4H3/b14-7-,16-10-
InChIKeyDZXSELRDFUHAJG-SVQFLZJQSA-N
MW272.86 g/mol
LogP5.35
Rot. Bonds10

About (2Z,6Z)-1-chloro-12-methoxy-2,6,10-trimethyldodeca-2,6-diene

(2Z,6Z)-1-chloro-12-methoxy-2,6,10-trimethyldodeca-2,6-diene (PubChem CID 88656729) has the molecular formula C16H29ClO and a molecular weight of 272.86 g/mol. Its IUPAC name is (2Z,6Z)-1-chloro-12-methoxy-2,6,10-trimethyldodeca-2,6-diene.

Molecular Properties

Compound Name(2Z,6Z)-1-chloro-12-methoxy-2,6,10-trimethyldodeca-2,6-diene
PubChem CID88656729
Molecular FormulaC16H29ClO
Molecular Weight272.86 g/mol
Exact Mass272.19
IUPAC Name(2Z,6Z)-1-chloro-12-methoxy-2,6,10-trimethyldodeca-2,6-diene
SMILESCOCCC(C)CC/C=C(/C)CC/C=C(/C)CCl
InChIInChI=1S/C16H29ClO/c1-14(8-6-10-16(3)13-17)7-5-9-15(2)11-12-18-4/h7,10,15H,5-6,8-9,11-13H2,1-4H3/b14-7-,16-10-
InChIKeyDZXSELRDFUHAJG-SVQFLZJQSA-N
XLogP5.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.86
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2Z,6Z)-1-chloro-12-methoxy-2,6,10-trimethyldodeca-2,6-diene with MolForge

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Related Compounds

[(6Z,10Z,14Z,18Z,22Z,26Z,30Z,34Z,38Z,42Z,46Z,50Z,54Z,58Z,62Z,66E,70E)-3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75-nonadecamethylhexaheptaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74-octadecaenyl] dihydrogen phosphate
CID 91820439
[(6Z,10Z,14Z,18E,22E)-3,7,11,15,19,23,27-heptamethyloctacosa-6,10,14,18,22,26-hexaenyl] dihydrogen phosphate
CID 73427393
[(6Z,10Z,14Z,18Z,22Z,26Z,30Z,34Z,38Z,42E,46E)-3,7,11,15,19,23,27,31,35,39,43,47,51-tridecamethyldopentaconta-6,10,14,18,22,26,30,34,38,42,46,50-dodecaenyl] dihydrogen phosphate
CID 91819787
(Z)-1-chloro-2,6-dimethylhept-2-ene
CID 59072785
[(6Z,10Z,14Z,18Z,22Z,26Z,30Z,34Z,38E,42E)-3,7,11,15,19,23,27,31,35,39,43,47-dodecamethyloctatetraconta-6,10,14,18,22,26,30,34,38,42-decaenyl] dihydrogen phosphate
CID 91819914
3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79,83,87-docosamethyloctaoctaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78,82,86-henicosaen-1-ol
CID 139698181
3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79,83,87,91-tricosamethyldononaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78,82,86,90-docosaen-1-ol
CID 139698175
(6Z,10Z,14Z,18Z,22Z,26Z,30Z,34Z,38E,42E)-3,7,11,15,19,23,27,31,35,39,43,47-dodecamethyloctatetraconta-6,10,14,18,22,26,30,34,38,42,46-undecaen-1-ol
CID 91820232
(6E,10E,14E,18E,22E,26Z,30E,34E,38E,42E,46Z,50E,54E,58E,62E,66E,70E,74Z)-3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79-icosamethyloctaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78-nonadecaen-1-ol
CID 11818896
(2E,6E)-1-chloro-2,6-dimethylocta-2,6-diene
CID 13409854
11-chloro-6,10-dimethylundeca-5,9-dien-2-one
CID 173363850
(2Z)-1,1-bis[(3S)-3,7-dimethyloct-6-enoxy]-3,7-dimethylocta-2,6-diene
CID 87864001

Frequently Asked Questions

What is the IUPAC name of (2Z,6Z)-1-chloro-12-methoxy-2,6,10-trimethyldodeca-2,6-diene?
The IUPAC name of (2Z,6Z)-1-chloro-12-methoxy-2,6,10-trimethyldodeca-2,6-diene (CID 88656729) is (2Z,6Z)-1-chloro-12-methoxy-2,6,10-trimethyldodeca-2,6-diene.
What is the SMILES notation for (2Z,6Z)-1-chloro-12-methoxy-2,6,10-trimethyldodeca-2,6-diene?
The canonical SMILES for (2Z,6Z)-1-chloro-12-methoxy-2,6,10-trimethyldodeca-2,6-diene is COCCC(C)CC/C=C(/C)CC/C=C(/C)CCl.
What is the InChIKey of (2Z,6Z)-1-chloro-12-methoxy-2,6,10-trimethyldodeca-2,6-diene?
The InChIKey is DZXSELRDFUHAJG-SVQFLZJQSA-N. The full InChI is InChI=1S/C16H29ClO/c1-14(8-6-10-16(3)13-17)7-5-9-15(2)11-12-18-4/h7,10,15H,5-6,8-9,11-13H2,1-4H3/b14-7-,16-10-.
What are the key properties of (2Z,6Z)-1-chloro-12-methoxy-2,6,10-trimethyldodeca-2,6-diene?
(2Z,6Z)-1-chloro-12-methoxy-2,6,10-trimethyldodeca-2,6-diene has a molecular weight of 272.86 g/mol, XLogP of 5.35, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,6Z)-1-chloro-12-methoxy-2,6,10-trimethyldodeca-2,6-diene is sourced from PubChem (CID 88656729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).