(Z)-3-bromooct-2-ene

C8H15Br — CID 13181431

IUPAC(Z)-3-bromooct-2-ene
SMILESC/C=C(\Br)CCCCC
InChIInChI=1S/C8H15Br/c1-3-5-6-7-8(9)4-2/h4H,3,5-7H2,1-2H3/b8-4-
InChIKeyIPRMIXIQQTTWLE-YWEYNIOJSA-N
MW191.11 g/mol
LogP3.87
Rot. Bonds4

About (Z)-3-bromooct-2-ene

(Z)-3-bromooct-2-ene (PubChem CID 13181431) has the molecular formula C8H15Br and a molecular weight of 191.11 g/mol. Its IUPAC name is (Z)-3-bromooct-2-ene.

Molecular Properties

Compound Name(Z)-3-bromooct-2-ene
PubChem CID13181431
Molecular FormulaC8H15Br
Molecular Weight191.11 g/mol
Exact Mass190.04
IUPAC Name(Z)-3-bromooct-2-ene
SMILESC/C=C(\Br)CCCCC
InChIInChI=1S/C8H15Br/c1-3-5-6-7-8(9)4-2/h4H,3,5-7H2,1-2H3/b8-4-
InChIKeyIPRMIXIQQTTWLE-YWEYNIOJSA-N
XLogP3.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.11
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (Z)-3-bromooct-2-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-1,2-dibromohept-1-ene
CID 134985754
(13E,15E)-13,16-dibromooctacosa-13,15-diene
CID 101467578
(E)-1,2-diiodohept-1-ene
CID 15312157
6-ethylidenehexadecane
CID 169207706
(E)-1,2-diiododec-1-ene
CID 11361339
hexadecanoyl bromide
CID 10041615
(E)-3-methylnonadec-2-ene
CID 23160392
2-methylhept-1-en-1-ol
CID 141483452
3-methyldec-2-ene
CID 550799
(E)-3-methyltridec-2-ene
CID 22000795
(Z)-pentadec-2-en-3-ol
CID 141060609
2-bromotetradec-1-ene
CID 2757183

Frequently Asked Questions

What is the IUPAC name of (Z)-3-bromooct-2-ene?
The IUPAC name of (Z)-3-bromooct-2-ene (CID 13181431) is (Z)-3-bromooct-2-ene.
What is the SMILES notation for (Z)-3-bromooct-2-ene?
The canonical SMILES for (Z)-3-bromooct-2-ene is C/C=C(\Br)CCCCC.
What is the InChIKey of (Z)-3-bromooct-2-ene?
The InChIKey is IPRMIXIQQTTWLE-YWEYNIOJSA-N. The full InChI is InChI=1S/C8H15Br/c1-3-5-6-7-8(9)4-2/h4H,3,5-7H2,1-2H3/b8-4-.
What are the key properties of (Z)-3-bromooct-2-ene?
(Z)-3-bromooct-2-ene has a molecular weight of 191.11 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-bromooct-2-ene is sourced from PubChem (CID 13181431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).