(2Z,4E)-2,3-dichloro-6-(2,2-dimethylpropyl)-5-ethenyl-7,7-dimethylnona-2,4-diene

C18H30Cl2 — CID 88961826

IUPAC(2Z,4E)-2,3-dichloro-6-(2,2-dimethylpropyl)-5-ethenyl-7,7-dimethylnona-2,4-diene
SMILESC=C/C(=C\C(Cl)=C(/C)Cl)C(CC(C)(C)C)C(C)(C)CC
InChIInChI=1S/C18H30Cl2/c1-9-14(11-16(20)13(3)19)15(12-17(4,5)6)18(7,8)10-2/h9,11,15H,1,10,12H2,2-8H3/b14-11+,16-13-
InChIKeyMOFBVYZWCGSRFQ-YLJYFMQQSA-N
MW317.34 g/mol
LogP7.30
Rot. Bonds6

About (2Z,4E)-2,3-dichloro-6-(2,2-dimethylpropyl)-5-ethenyl-7,7-dimethylnona-2,4-diene

(2Z,4E)-2,3-dichloro-6-(2,2-dimethylpropyl)-5-ethenyl-7,7-dimethylnona-2,4-diene (PubChem CID 88961826) has the molecular formula C18H30Cl2 and a molecular weight of 317.34 g/mol. Its IUPAC name is (2Z,4E)-2,3-dichloro-6-(2,2-dimethylpropyl)-5-ethenyl-7,7-dimethylnona-2,4-diene.

Molecular Properties

Compound Name(2Z,4E)-2,3-dichloro-6-(2,2-dimethylpropyl)-5-ethenyl-7,7-dimethylnona-2,4-diene
PubChem CID88961826
Molecular FormulaC18H30Cl2
Molecular Weight317.34 g/mol
Exact Mass316.17
IUPAC Name(2Z,4E)-2,3-dichloro-6-(2,2-dimethylpropyl)-5-ethenyl-7,7-dimethylnona-2,4-diene
SMILESC=C/C(=C\C(Cl)=C(/C)Cl)C(CC(C)(C)C)C(C)(C)CC
InChIInChI=1S/C18H30Cl2/c1-9-14(11-16(20)13(3)19)15(12-17(4,5)6)18(7,8)10-2/h9,11,15H,1,10,12H2,2-8H3/b14-11+,16-13-
InChIKeyMOFBVYZWCGSRFQ-YLJYFMQQSA-N
XLogP7.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.34
LogP ≤ 57.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-2,3-dichloro-6-(2,2-dimethylpropyl)-5-ethenyl-7,7-dimethylnona-2,4-diene?
The IUPAC name of (2Z,4E)-2,3-dichloro-6-(2,2-dimethylpropyl)-5-ethenyl-7,7-dimethylnona-2,4-diene (CID 88961826) is (2Z,4E)-2,3-dichloro-6-(2,2-dimethylpropyl)-5-ethenyl-7,7-dimethylnona-2,4-diene.
What is the SMILES notation for (2Z,4E)-2,3-dichloro-6-(2,2-dimethylpropyl)-5-ethenyl-7,7-dimethylnona-2,4-diene?
The canonical SMILES for (2Z,4E)-2,3-dichloro-6-(2,2-dimethylpropyl)-5-ethenyl-7,7-dimethylnona-2,4-diene is C=C/C(=C\C(Cl)=C(/C)Cl)C(CC(C)(C)C)C(C)(C)CC.
What is the InChIKey of (2Z,4E)-2,3-dichloro-6-(2,2-dimethylpropyl)-5-ethenyl-7,7-dimethylnona-2,4-diene?
The InChIKey is MOFBVYZWCGSRFQ-YLJYFMQQSA-N. The full InChI is InChI=1S/C18H30Cl2/c1-9-14(11-16(20)13(3)19)15(12-17(4,5)6)18(7,8)10-2/h9,11,15H,1,10,12H2,2-8H3/b14-11+,16-13-.
What are the key properties of (2Z,4E)-2,3-dichloro-6-(2,2-dimethylpropyl)-5-ethenyl-7,7-dimethylnona-2,4-diene?
(2Z,4E)-2,3-dichloro-6-(2,2-dimethylpropyl)-5-ethenyl-7,7-dimethylnona-2,4-diene has a molecular weight of 317.34 g/mol, XLogP of 7.30, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-2,3-dichloro-6-(2,2-dimethylpropyl)-5-ethenyl-7,7-dimethylnona-2,4-diene is sourced from PubChem (CID 88961826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).