(3Z)-2-bromo-3-methylpenta-1,3-diene;ethene

C8H13Br — CID 144646634

IUPAC(3Z)-2-bromo-3-methylpenta-1,3-diene;ethene
SMILESC=C.C=C(Br)/C(C)=C\C
InChIInChI=1S/C6H9Br.C2H4/c1-4-5(2)6(3)7;1-2/h4H,3H2,1-2H3;1-2H2/b5-4-;
InChIKeyXUUMXUNKOTYXKO-MKWAYWHRSA-N
MW189.10 g/mol
LogP3.66
Rot. Bonds1

About (3Z)-2-bromo-3-methylpenta-1,3-diene;ethene

(3Z)-2-bromo-3-methylpenta-1,3-diene;ethene (PubChem CID 144646634) has the molecular formula C8H13Br and a molecular weight of 189.10 g/mol. Its IUPAC name is (3Z)-2-bromo-3-methylpenta-1,3-diene;ethene.

Molecular Properties

Compound Name(3Z)-2-bromo-3-methylpenta-1,3-diene;ethene
PubChem CID144646634
Molecular FormulaC8H13Br
Molecular Weight189.10 g/mol
Exact Mass188.02
IUPAC Name(3Z)-2-bromo-3-methylpenta-1,3-diene;ethene
SMILESC=C.C=C(Br)/C(C)=C\C
InChIInChI=1S/C6H9Br.C2H4/c1-4-5(2)6(3)7;1-2/h4H,3H2,1-2H3;1-2H2/b5-4-;
InChIKeyXUUMXUNKOTYXKO-MKWAYWHRSA-N
XLogP3.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.10
LogP ≤ 53.66
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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Related Compounds

(5E)-5-methyl-3,4-dimethylidenehepta-1,5-diene
CID 144801201
(3Z)-3-methyl-2-methylsulfanylpenta-1,3-diene
CID 88850042
(3Z,5E)-4-[(Z)-but-2-en-2-yl]hepta-1,3,5-triene-2,6-diol
CID 144980471
(Z)-3-methyl-N-prop-1-en-2-ylpent-3-en-2-imine
CID 142024841
(3Z,6Z)-2,6-dimethyl-5-methylideneocta-1,3,6-triene
CID 166131805
(3Z,5Z)-2-chloro-4,5-dimethylhepta-1,3,5-triene
CID 143318485
(3E,5Z)-2,3,5-trimethyl-4-prop-1-en-2-ylhepta-1,3,5-triene
CID 170590515
(3E)-2-bromo-3-methoxypenta-1,3-diene
CID 147749518
(3Z,5E)-5-bromo-2-methylhepta-1,3,5-triene;ethane
CID 144637545
(3Z)-2-bromopenta-1,3-diene
CID 89363869
(2E,5Z)-5-methyl-4-methylidenehepta-2,5-dien-2-amine
CID 169247779
(3E,5Z)-4-bromo-3-methylhepta-1,3,5-triene
CID 144800259

Frequently Asked Questions

What is the IUPAC name of (3Z)-2-bromo-3-methylpenta-1,3-diene;ethene?
The IUPAC name of (3Z)-2-bromo-3-methylpenta-1,3-diene;ethene (CID 144646634) is (3Z)-2-bromo-3-methylpenta-1,3-diene;ethene.
What is the SMILES notation for (3Z)-2-bromo-3-methylpenta-1,3-diene;ethene?
The canonical SMILES for (3Z)-2-bromo-3-methylpenta-1,3-diene;ethene is C=C.C=C(Br)/C(C)=C\C.
What is the InChIKey of (3Z)-2-bromo-3-methylpenta-1,3-diene;ethene?
The InChIKey is XUUMXUNKOTYXKO-MKWAYWHRSA-N. The full InChI is InChI=1S/C6H9Br.C2H4/c1-4-5(2)6(3)7;1-2/h4H,3H2,1-2H3;1-2H2/b5-4-;.
What are the key properties of (3Z)-2-bromo-3-methylpenta-1,3-diene;ethene?
(3Z)-2-bromo-3-methylpenta-1,3-diene;ethene has a molecular weight of 189.10 g/mol, XLogP of 3.66, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2-bromo-3-methylpenta-1,3-diene;ethene is sourced from PubChem (CID 144646634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).