[(2Z)-6-chloro-3,7-dimethylocta-2,7-dienyl] acetate

C12H19ClO2 — CID 5372069

IUPAC[(2Z)-6-chloro-3,7-dimethylocta-2,7-dienyl] acetate
SMILESC=C(C)C(Cl)CC/C(C)=C\COC(C)=O
InChIInChI=1S/C12H19ClO2/c1-9(2)12(13)6-5-10(3)7-8-15-11(4)14/h7,12H,1,5-6,8H2,2-4H3/b10-7-
InChIKeyWPMFOBQJRQAIKY-YFHOEESVSA-N
MW230.73 g/mol
LogP3.46
Rot. Bonds6

About [(2Z)-6-chloro-3,7-dimethylocta-2,7-dienyl] acetate

[(2Z)-6-chloro-3,7-dimethylocta-2,7-dienyl] acetate (PubChem CID 5372069) has the molecular formula C12H19ClO2 and a molecular weight of 230.73 g/mol. Its IUPAC name is [(2Z)-6-chloro-3,7-dimethylocta-2,7-dienyl] acetate.

Molecular Properties

Compound Name[(2Z)-6-chloro-3,7-dimethylocta-2,7-dienyl] acetate
PubChem CID5372069
Molecular FormulaC12H19ClO2
Molecular Weight230.73 g/mol
Exact Mass230.11
IUPAC Name[(2Z)-6-chloro-3,7-dimethylocta-2,7-dienyl] acetate
SMILESC=C(C)C(Cl)CC/C(C)=C\COC(C)=O
InChIInChI=1S/C12H19ClO2/c1-9(2)12(13)6-5-10(3)7-8-15-11(4)14/h7,12H,1,5-6,8H2,2-4H3/b10-7-
InChIKeyWPMFOBQJRQAIKY-YFHOEESVSA-N
XLogP3.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.73
LogP ≤ 53.46
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

6-Chloro-3,7-dimethyl-2,7-octadienyl acetate
CID 6537011
[(2E,6E)-10-chloro-3,7,11-trimethyldodeca-2,6,11-trienyl] acetate
CID 19981581
3-Chloropropionic acid, undec-2-enyl ester
CID 5353112
(6-Chloro-3,7-dimethylocta-2,7-dienyl) acetate
CID 584614
methyl (2E)-6-chloro-3,7-dimethylocta-2,7-dienoate
CID 11843211
methyl (E)-7-chloro-3-methylhept-2-enoate
CID 46934761
Ethyl dichlorofarnesoate
CID 129664108
(6e)-7-Methyl-3-propyl-2,6-nonadienyl acetate
CID 129775733
[(1R,4S)-4-chloro-3-methylcyclohex-2-en-1-yl] acetate
CID 130934636
[(E)-4-chloro-2-methylpent-2-enyl] acetate
CID 134980704
[(1S,4R)-4-chloro-3-methylcyclohex-2-en-1-yl] acetate
CID 134980872
ethyl (Z)-3-chloro-3-(cyclohexen-1-yl)prop-2-enoate
CID 135080441

Frequently Asked Questions

What is the IUPAC name of [(2Z)-6-chloro-3,7-dimethylocta-2,7-dienyl] acetate?
The IUPAC name of [(2Z)-6-chloro-3,7-dimethylocta-2,7-dienyl] acetate (CID 5372069) is [(2Z)-6-chloro-3,7-dimethylocta-2,7-dienyl] acetate.
What is the SMILES notation for [(2Z)-6-chloro-3,7-dimethylocta-2,7-dienyl] acetate?
The canonical SMILES for [(2Z)-6-chloro-3,7-dimethylocta-2,7-dienyl] acetate is C=C(C)C(Cl)CC/C(C)=C\COC(C)=O.
What is the InChIKey of [(2Z)-6-chloro-3,7-dimethylocta-2,7-dienyl] acetate?
The InChIKey is WPMFOBQJRQAIKY-YFHOEESVSA-N. The full InChI is InChI=1S/C12H19ClO2/c1-9(2)12(13)6-5-10(3)7-8-15-11(4)14/h7,12H,1,5-6,8H2,2-4H3/b10-7-.
What are the key properties of [(2Z)-6-chloro-3,7-dimethylocta-2,7-dienyl] acetate?
[(2Z)-6-chloro-3,7-dimethylocta-2,7-dienyl] acetate has a molecular weight of 230.73 g/mol, XLogP of 3.46, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z)-6-chloro-3,7-dimethylocta-2,7-dienyl] acetate is sourced from PubChem (CID 5372069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).