(2Z,4Z)-5-(1-chloroethenyl)-7-methyldeca-2,4-diene

C13H21Cl — CID 143267861

IUPAC(2Z,4Z)-5-(1-chloroethenyl)-7-methyldeca-2,4-diene
SMILESC=C(Cl)/C(=C\C=C/C)CC(C)CCC
InChIInChI=1S/C13H21Cl/c1-5-7-9-13(12(4)14)10-11(3)8-6-2/h5,7,9,11H,4,6,8,10H2,1-3H3/b7-5-,13-9-
InChIKeyLTHPRRZGGPOJHX-YYKSKGJFSA-N
MW212.76 g/mol
LogP5.07
Rot. Bonds6

About (2Z,4Z)-5-(1-chloroethenyl)-7-methyldeca-2,4-diene

(2Z,4Z)-5-(1-chloroethenyl)-7-methyldeca-2,4-diene (PubChem CID 143267861) has the molecular formula C13H21Cl and a molecular weight of 212.76 g/mol. Its IUPAC name is (2Z,4Z)-5-(1-chloroethenyl)-7-methyldeca-2,4-diene.

Molecular Properties

Compound Name(2Z,4Z)-5-(1-chloroethenyl)-7-methyldeca-2,4-diene
PubChem CID143267861
Molecular FormulaC13H21Cl
Molecular Weight212.76 g/mol
Exact Mass212.13
IUPAC Name(2Z,4Z)-5-(1-chloroethenyl)-7-methyldeca-2,4-diene
SMILESC=C(Cl)/C(=C\C=C/C)CC(C)CCC
InChIInChI=1S/C13H21Cl/c1-5-7-9-13(12(4)14)10-11(3)8-6-2/h5,7,9,11H,4,6,8,10H2,1-3H3/b7-5-,13-9-
InChIKeyLTHPRRZGGPOJHX-YYKSKGJFSA-N
XLogP5.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500212.76
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(2Z,4Z)-7-methyl-5-prop-1-en-2-ylnona-2,4-diene
CID 145116686
(2Z,4E)-5,9-dimethyldodeca-2,4-diene
CID 143714794
5-ethylidene-3,7-dimethyldecane
CID 91539867
5-methyl-3-propan-2-yloct-2-ene
CID 123290549
5,6-dimethyldeca-2,4-diene
CID 91470784
3-methylhexane;2-methylprop-1-ene
CID 165405684
(E)-3,5-dimethyloct-2-enal
CID 87292171
5-ethyl-7-methylnona-2,4-diene
CID 123846326
4-methylidene-5-propyloct-2-ene
CID 90714762
(3Z)-3-[(E)-but-2-enylidene]-8,8-dimethylnon-1-ene-2,7-diol
CID 155033525
ethane;(2Z,4Z)-7-methyl-6-methylideneundeca-2,4-diene
CID 167457633
4-methylheptane
CID 91413347

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-5-(1-chloroethenyl)-7-methyldeca-2,4-diene?
The IUPAC name of (2Z,4Z)-5-(1-chloroethenyl)-7-methyldeca-2,4-diene (CID 143267861) is (2Z,4Z)-5-(1-chloroethenyl)-7-methyldeca-2,4-diene.
What is the SMILES notation for (2Z,4Z)-5-(1-chloroethenyl)-7-methyldeca-2,4-diene?
The canonical SMILES for (2Z,4Z)-5-(1-chloroethenyl)-7-methyldeca-2,4-diene is C=C(Cl)/C(=C\C=C/C)CC(C)CCC.
What is the InChIKey of (2Z,4Z)-5-(1-chloroethenyl)-7-methyldeca-2,4-diene?
The InChIKey is LTHPRRZGGPOJHX-YYKSKGJFSA-N. The full InChI is InChI=1S/C13H21Cl/c1-5-7-9-13(12(4)14)10-11(3)8-6-2/h5,7,9,11H,4,6,8,10H2,1-3H3/b7-5-,13-9-.
What are the key properties of (2Z,4Z)-5-(1-chloroethenyl)-7-methyldeca-2,4-diene?
(2Z,4Z)-5-(1-chloroethenyl)-7-methyldeca-2,4-diene has a molecular weight of 212.76 g/mol, XLogP of 5.07, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-5-(1-chloroethenyl)-7-methyldeca-2,4-diene is sourced from PubChem (CID 143267861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).