(3Z)-3-(bromomethylidene)-7-methylocta-1,6-diene

C10H15Br — CID 23247413

IUPAC(3Z)-3-(bromomethylidene)-7-methylocta-1,6-diene
SMILESC=C/C(=C\Br)CCC=C(C)C
InChIInChI=1S/C10H15Br/c1-4-10(8-11)7-5-6-9(2)3/h4,6,8H,1,5,7H2,2-3H3/b10-8+
InChIKeyFNFMYXBWJOHPFE-CSKARUKUSA-N
MW215.13 g/mol
LogP4.20
Rot. Bonds4

About (3Z)-3-(bromomethylidene)-7-methylocta-1,6-diene

(3Z)-3-(bromomethylidene)-7-methylocta-1,6-diene (PubChem CID 23247413) has the molecular formula C10H15Br and a molecular weight of 215.13 g/mol. Its IUPAC name is (3Z)-3-(bromomethylidene)-7-methylocta-1,6-diene.

Molecular Properties

Compound Name(3Z)-3-(bromomethylidene)-7-methylocta-1,6-diene
PubChem CID23247413
Molecular FormulaC10H15Br
Molecular Weight215.13 g/mol
Exact Mass214.04
IUPAC Name(3Z)-3-(bromomethylidene)-7-methylocta-1,6-diene
SMILESC=C/C(=C\Br)CCC=C(C)C
InChIInChI=1S/C10H15Br/c1-4-10(8-11)7-5-6-9(2)3/h4,6,8H,1,5,7H2,2-3H3/b10-8+
InChIKeyFNFMYXBWJOHPFE-CSKARUKUSA-N
XLogP4.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.13
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-(bromomethylidene)-7-methylocta-1,6-diene?
The IUPAC name of (3Z)-3-(bromomethylidene)-7-methylocta-1,6-diene (CID 23247413) is (3Z)-3-(bromomethylidene)-7-methylocta-1,6-diene.
What is the SMILES notation for (3Z)-3-(bromomethylidene)-7-methylocta-1,6-diene?
The canonical SMILES for (3Z)-3-(bromomethylidene)-7-methylocta-1,6-diene is C=C/C(=C\Br)CCC=C(C)C.
What is the InChIKey of (3Z)-3-(bromomethylidene)-7-methylocta-1,6-diene?
The InChIKey is FNFMYXBWJOHPFE-CSKARUKUSA-N. The full InChI is InChI=1S/C10H15Br/c1-4-10(8-11)7-5-6-9(2)3/h4,6,8H,1,5,7H2,2-3H3/b10-8+.
What are the key properties of (3Z)-3-(bromomethylidene)-7-methylocta-1,6-diene?
(3Z)-3-(bromomethylidene)-7-methylocta-1,6-diene has a molecular weight of 215.13 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(bromomethylidene)-7-methylocta-1,6-diene is sourced from PubChem (CID 23247413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).