(5E)-5-[(Z)-1-bromo-2-methylhex-4-enylidene]-6-methylidenecyclohexa-1,3-diene

C14H17Br — CID 170223486

IUPAC(5E)-5-[(Z)-1-bromo-2-methylhex-4-enylidene]-6-methylidenecyclohexa-1,3-diene
SMILESC=c1cccc/c1=C(\Br)C(C)C/C=C\C
InChIInChI=1S/C14H17Br/c1-4-5-8-12(3)14(15)13-10-7-6-9-11(13)2/h4-7,9-10,12H,2,8H2,1,3H3/b5-4-,14-13+
InChIKeyAESUAWLSAMVTET-SXEKXAKBSA-N
MW265.19 g/mol
LogP3.20
Rot. Bonds3

About (5E)-5-[(Z)-1-bromo-2-methylhex-4-enylidene]-6-methylidenecyclohexa-1,3-diene

(5E)-5-[(Z)-1-bromo-2-methylhex-4-enylidene]-6-methylidenecyclohexa-1,3-diene (PubChem CID 170223486) has the molecular formula C14H17Br and a molecular weight of 265.19 g/mol. Its IUPAC name is (5E)-5-[(Z)-1-bromo-2-methylhex-4-enylidene]-6-methylidenecyclohexa-1,3-diene.

Molecular Properties

Compound Name(5E)-5-[(Z)-1-bromo-2-methylhex-4-enylidene]-6-methylidenecyclohexa-1,3-diene
PubChem CID170223486
Molecular FormulaC14H17Br
Molecular Weight265.19 g/mol
Exact Mass264.05
IUPAC Name(5E)-5-[(Z)-1-bromo-2-methylhex-4-enylidene]-6-methylidenecyclohexa-1,3-diene
SMILESC=c1cccc/c1=C(\Br)C(C)C/C=C\C
InChIInChI=1S/C14H17Br/c1-4-5-8-12(3)14(15)13-10-7-6-9-11(13)2/h4-7,9-10,12H,2,8H2,1,3H3/b5-4-,14-13+
InChIKeyAESUAWLSAMVTET-SXEKXAKBSA-N
XLogP3.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.19
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(Z)-1-bromo-2-methylhex-4-enylidene]-6-methylidenecyclohexa-1,3-diene?
The IUPAC name of (5E)-5-[(Z)-1-bromo-2-methylhex-4-enylidene]-6-methylidenecyclohexa-1,3-diene (CID 170223486) is (5E)-5-[(Z)-1-bromo-2-methylhex-4-enylidene]-6-methylidenecyclohexa-1,3-diene.
What is the SMILES notation for (5E)-5-[(Z)-1-bromo-2-methylhex-4-enylidene]-6-methylidenecyclohexa-1,3-diene?
The canonical SMILES for (5E)-5-[(Z)-1-bromo-2-methylhex-4-enylidene]-6-methylidenecyclohexa-1,3-diene is C=c1cccc/c1=C(\Br)C(C)C/C=C\C.
What is the InChIKey of (5E)-5-[(Z)-1-bromo-2-methylhex-4-enylidene]-6-methylidenecyclohexa-1,3-diene?
The InChIKey is AESUAWLSAMVTET-SXEKXAKBSA-N. The full InChI is InChI=1S/C14H17Br/c1-4-5-8-12(3)14(15)13-10-7-6-9-11(13)2/h4-7,9-10,12H,2,8H2,1,3H3/b5-4-,14-13+.
What are the key properties of (5E)-5-[(Z)-1-bromo-2-methylhex-4-enylidene]-6-methylidenecyclohexa-1,3-diene?
(5E)-5-[(Z)-1-bromo-2-methylhex-4-enylidene]-6-methylidenecyclohexa-1,3-diene has a molecular weight of 265.19 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(Z)-1-bromo-2-methylhex-4-enylidene]-6-methylidenecyclohexa-1,3-diene is sourced from PubChem (CID 170223486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).