(4E,5E)-5-bromo-4-ethylidene-3-methylidenehepta-1,5-diene

C10H13Br — CID 156799565

IUPAC(4E,5E)-5-bromo-4-ethylidene-3-methylidenehepta-1,5-diene
SMILESC=CC(=C)C(=CC)/C(Br)=C\C
InChIInChI=1S/C10H13Br/c1-5-8(4)9(6-2)10(11)7-3/h5-7H,1,4H2,2-3H3/b9-6+,10-7+
InChIKeyFNPRAGGIWZZLAZ-KZZDLZNXSA-N
MW213.12 g/mol
LogP3.97
Rot. Bonds3

About (4E,5E)-5-bromo-4-ethylidene-3-methylidenehepta-1,5-diene

(4E,5E)-5-bromo-4-ethylidene-3-methylidenehepta-1,5-diene (PubChem CID 156799565) has the molecular formula C10H13Br and a molecular weight of 213.12 g/mol. Its IUPAC name is (4E,5E)-5-bromo-4-ethylidene-3-methylidenehepta-1,5-diene.

Molecular Properties

Compound Name(4E,5E)-5-bromo-4-ethylidene-3-methylidenehepta-1,5-diene
PubChem CID156799565
Molecular FormulaC10H13Br
Molecular Weight213.12 g/mol
Exact Mass212.02
IUPAC Name(4E,5E)-5-bromo-4-ethylidene-3-methylidenehepta-1,5-diene
SMILESC=CC(=C)C(=CC)/C(Br)=C\C
InChIInChI=1S/C10H13Br/c1-5-8(4)9(6-2)10(11)7-3/h5-7H,1,4H2,2-3H3/b9-6+,10-7+
InChIKeyFNPRAGGIWZZLAZ-KZZDLZNXSA-N
XLogP3.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.12
LogP ≤ 53.97
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

(5E)-5-methyl-3,4-dimethylidenehepta-1,5-diene
CID 144801201
(5Z)-3,4-dimethylidenehepta-1,5-diene;ethane
CID 145140668
(5Z)-3,4-dimethylidenehepta-1,5-diene;ethane
CID 143166172
(2E)-2-ethylidene-3-methylidenepent-4-enal
CID 123838343
(3E)-3-bromo-2-methoxypenta-1,3-diene;ethane
CID 166167224
(2E,4E)-4-bromohepta-2,4,6-trien-3-amine
CID 135198890
(3E,5E)-5-bromo-4-fluorohepta-1,3,5-triene
CID 142332735
(3E)-2-bromo-5-methylidenehepta-1,3,6-trien-4-amine
CID 155582876
2-buta-1,3-dien-2-ylpent-2-enoic acid
CID 90763748
(3E,4E)-3-ethylidene-4-methylhepta-1,4-diene
CID 143688525
(2E,4E)-4-bromo-6-fluorohepta-2,4,6-trien-3-ol
CID 178133361
N-[(3E)-3-bromopenta-1,3-dien-2-yl]oxymethanamine
CID 139576198

Frequently Asked Questions

What is the IUPAC name of (4E,5E)-5-bromo-4-ethylidene-3-methylidenehepta-1,5-diene?
The IUPAC name of (4E,5E)-5-bromo-4-ethylidene-3-methylidenehepta-1,5-diene (CID 156799565) is (4E,5E)-5-bromo-4-ethylidene-3-methylidenehepta-1,5-diene.
What is the SMILES notation for (4E,5E)-5-bromo-4-ethylidene-3-methylidenehepta-1,5-diene?
The canonical SMILES for (4E,5E)-5-bromo-4-ethylidene-3-methylidenehepta-1,5-diene is C=CC(=C)C(=CC)/C(Br)=C\C.
What is the InChIKey of (4E,5E)-5-bromo-4-ethylidene-3-methylidenehepta-1,5-diene?
The InChIKey is FNPRAGGIWZZLAZ-KZZDLZNXSA-N. The full InChI is InChI=1S/C10H13Br/c1-5-8(4)9(6-2)10(11)7-3/h5-7H,1,4H2,2-3H3/b9-6+,10-7+.
What are the key properties of (4E,5E)-5-bromo-4-ethylidene-3-methylidenehepta-1,5-diene?
(4E,5E)-5-bromo-4-ethylidene-3-methylidenehepta-1,5-diene has a molecular weight of 213.12 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-5-bromo-4-ethylidene-3-methylidenehepta-1,5-diene is sourced from PubChem (CID 156799565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).