(2E,6Z)-8-chloro-6-(chloromethyl)-2-methylocta-2,6-dienal

C10H14Cl2O — CID 14865331

IUPAC(2E,6Z)-8-chloro-6-(chloromethyl)-2-methylocta-2,6-dienal
SMILESC/C(C=O)=C\CC/C(=C/CCl)CCl
InChIInChI=1S/C10H14Cl2O/c1-9(8-13)3-2-4-10(7-12)5-6-11/h3,5,8H,2,4,6-7H2,1H3/b9-3+,10-5-
InChIKeyJQUUTSBSWFKCKS-AWTZEJBTSA-N
MW221.13 g/mol
LogP3.32
Rot. Bonds6

About (2E,6Z)-8-chloro-6-(chloromethyl)-2-methylocta-2,6-dienal

(2E,6Z)-8-chloro-6-(chloromethyl)-2-methylocta-2,6-dienal (PubChem CID 14865331) has the molecular formula C10H14Cl2O and a molecular weight of 221.13 g/mol. Its IUPAC name is (2E,6Z)-8-chloro-6-(chloromethyl)-2-methylocta-2,6-dienal.

Molecular Properties

Compound Name(2E,6Z)-8-chloro-6-(chloromethyl)-2-methylocta-2,6-dienal
PubChem CID14865331
Molecular FormulaC10H14Cl2O
Molecular Weight221.13 g/mol
Exact Mass220.04
IUPAC Name(2E,6Z)-8-chloro-6-(chloromethyl)-2-methylocta-2,6-dienal
SMILESC/C(C=O)=C\CC/C(=C/CCl)CCl
InChIInChI=1S/C10H14Cl2O/c1-9(8-13)3-2-4-10(7-12)5-6-11/h3,5,8H,2,4,6-7H2,1H3/b9-3+,10-5-
InChIKeyJQUUTSBSWFKCKS-AWTZEJBTSA-N
XLogP3.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.13
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2E,6E)-2,6-dimethylocta-2,6-dienal
CID 19035325
(2E,6E)-2,6-dimethyl-10-oxoundeca-2,6-dienal
CID 87827115
2-methyl-6-methylideneocta-2,7-dienal
CID 57156590
(2E,6Z)-1-chloro-3,11-dimethyl-7-(3-methylbut-2-enyl)dodeca-2,6,10-triene
CID 58792351
(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,6Z)-1-chloro-3,7,11-trimethyldodeca-2,6,10-triene
CID 10752589
methyl (2E,6E)-3,7-dimethyl-8-oxoocta-2,6-dienoate
CID 24976790
(2E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaenal
CID 175857792
(2Z,6E,9E)-2,6,10-trimethyldodeca-2,6,9,11-tetraenal
CID 118976608
3-bromo-8-chloro-6-(chloromethyl)-2-methylocta-1,6-diene
CID 72732358
(2E,6Z)-6-(chloromethyl)-1,8-dimethoxy-2-methylocta-2,6-diene
CID 14486227
2,6,11,15-tetramethyl-8-sulfonylhexadeca-2,6,10,14-tetraenedial
CID 142689055

Frequently Asked Questions

What is the IUPAC name of (2E,6Z)-8-chloro-6-(chloromethyl)-2-methylocta-2,6-dienal?
The IUPAC name of (2E,6Z)-8-chloro-6-(chloromethyl)-2-methylocta-2,6-dienal (CID 14865331) is (2E,6Z)-8-chloro-6-(chloromethyl)-2-methylocta-2,6-dienal.
What is the SMILES notation for (2E,6Z)-8-chloro-6-(chloromethyl)-2-methylocta-2,6-dienal?
The canonical SMILES for (2E,6Z)-8-chloro-6-(chloromethyl)-2-methylocta-2,6-dienal is C/C(C=O)=C\CC/C(=C/CCl)CCl.
What is the InChIKey of (2E,6Z)-8-chloro-6-(chloromethyl)-2-methylocta-2,6-dienal?
The InChIKey is JQUUTSBSWFKCKS-AWTZEJBTSA-N. The full InChI is InChI=1S/C10H14Cl2O/c1-9(8-13)3-2-4-10(7-12)5-6-11/h3,5,8H,2,4,6-7H2,1H3/b9-3+,10-5-.
What are the key properties of (2E,6Z)-8-chloro-6-(chloromethyl)-2-methylocta-2,6-dienal?
(2E,6Z)-8-chloro-6-(chloromethyl)-2-methylocta-2,6-dienal has a molecular weight of 221.13 g/mol, XLogP of 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6Z)-8-chloro-6-(chloromethyl)-2-methylocta-2,6-dienal is sourced from PubChem (CID 14865331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).