(2E,6Z)-6-(chloromethyl)-1,8-dimethoxy-2-methylocta-2,6-diene

C12H21ClO2 — CID 14486227

IUPAC(2E,6Z)-6-(chloromethyl)-1,8-dimethoxy-2-methylocta-2,6-diene
SMILESCOC/C=C(\CCl)CC/C=C(\C)COC
InChIInChI=1S/C12H21ClO2/c1-11(10-15-3)5-4-6-12(9-13)7-8-14-2/h5,7H,4,6,8-10H2,1-3H3/b11-5+,12-7-
InChIKeyUOKXUTJQWNDORS-DEYHNVIJSA-N
MW232.75 g/mol
LogP3.17
Rot. Bonds8

About (2E,6Z)-6-(chloromethyl)-1,8-dimethoxy-2-methylocta-2,6-diene

(2E,6Z)-6-(chloromethyl)-1,8-dimethoxy-2-methylocta-2,6-diene (PubChem CID 14486227) has the molecular formula C12H21ClO2 and a molecular weight of 232.75 g/mol. Its IUPAC name is (2E,6Z)-6-(chloromethyl)-1,8-dimethoxy-2-methylocta-2,6-diene.

Molecular Properties

Compound Name(2E,6Z)-6-(chloromethyl)-1,8-dimethoxy-2-methylocta-2,6-diene
PubChem CID14486227
Molecular FormulaC12H21ClO2
Molecular Weight232.75 g/mol
Exact Mass232.12
IUPAC Name(2E,6Z)-6-(chloromethyl)-1,8-dimethoxy-2-methylocta-2,6-diene
SMILESCOC/C=C(\CCl)CC/C=C(\C)COC
InChIInChI=1S/C12H21ClO2/c1-11(10-15-3)5-4-6-12(9-13)7-8-14-2/h5,7H,4,6,8-10H2,1-3H3/b11-5+,12-7-
InChIKeyUOKXUTJQWNDORS-DEYHNVIJSA-N
XLogP3.17
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.75
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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,6E,10E,14E)-16-methoxy-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-ol
CID 101334323
(5E,9E)-11-methoxy-6,10-dimethylundeca-5,9-dien-2-one
CID 88828035
6-(chloromethyl)-8-methoxy-2-methylocta-1,6-dien-3-ol
CID 72740292
5-methoxy-4-methyl-N-propylpent-3-en-1-amine
CID 79599750
N-(5-methoxy-4-methylpent-3-enyl)cyclopropanamine
CID 79598630
(E)-1-chloro-3-methoxy-2-methylprop-1-ene
CID 6382159
(2E,6Z)-8-chloro-6-(chloromethyl)-2-methylocta-2,6-dienal
CID 14865331
(Z)-1,5-dimethoxy-3-methylpent-2-ene
CID 146216379
(2E,6E)-1-chloro-2,6-dimethylocta-2,6-diene
CID 13409854
(E)-6-methoxy-4-methylhex-4-enal
CID 59967277
(Z)-1-methoxy-3-methylpent-2-ene
CID 102323192
[(2E,6E)-8-chloro-3,7-dimethylocta-2,6-dienyl] acetate
CID 10878979

Frequently Asked Questions

What is the IUPAC name of (2E,6Z)-6-(chloromethyl)-1,8-dimethoxy-2-methylocta-2,6-diene?
The IUPAC name of (2E,6Z)-6-(chloromethyl)-1,8-dimethoxy-2-methylocta-2,6-diene (CID 14486227) is (2E,6Z)-6-(chloromethyl)-1,8-dimethoxy-2-methylocta-2,6-diene.
What is the SMILES notation for (2E,6Z)-6-(chloromethyl)-1,8-dimethoxy-2-methylocta-2,6-diene?
The canonical SMILES for (2E,6Z)-6-(chloromethyl)-1,8-dimethoxy-2-methylocta-2,6-diene is COC/C=C(\CCl)CC/C=C(\C)COC.
What is the InChIKey of (2E,6Z)-6-(chloromethyl)-1,8-dimethoxy-2-methylocta-2,6-diene?
The InChIKey is UOKXUTJQWNDORS-DEYHNVIJSA-N. The full InChI is InChI=1S/C12H21ClO2/c1-11(10-15-3)5-4-6-12(9-13)7-8-14-2/h5,7H,4,6,8-10H2,1-3H3/b11-5+,12-7-.
What are the key properties of (2E,6Z)-6-(chloromethyl)-1,8-dimethoxy-2-methylocta-2,6-diene?
(2E,6Z)-6-(chloromethyl)-1,8-dimethoxy-2-methylocta-2,6-diene has a molecular weight of 232.75 g/mol, XLogP of 3.17, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6Z)-6-(chloromethyl)-1,8-dimethoxy-2-methylocta-2,6-diene is sourced from PubChem (CID 14486227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).