(E)-12-bromododec-3-ene

C12H23Br — CID 20561604

IUPAC(E)-12-bromododec-3-ene
SMILESCC/C=C/CCCCCCCCBr
InChIInChI=1S/C12H23Br/c1-2-3-4-5-6-7-8-9-10-11-12-13/h3-4H,2,5-12H2,1H3/b4-3+
InChIKeyGEOLWEIOPQGIDZ-ONEGZZNKSA-N
MW247.22 g/mol
LogP5.08
Rot. Bonds9

About (E)-12-bromododec-3-ene

(E)-12-bromododec-3-ene (PubChem CID 20561604) has the molecular formula C12H23Br and a molecular weight of 247.22 g/mol. Its IUPAC name is (E)-12-bromododec-3-ene.

Molecular Properties

Compound Name(E)-12-bromododec-3-ene
PubChem CID20561604
Molecular FormulaC12H23Br
Molecular Weight247.22 g/mol
Exact Mass246.10
IUPAC Name(E)-12-bromododec-3-ene
SMILESCC/C=C/CCCCCCCCBr
InChIInChI=1S/C12H23Br/c1-2-3-4-5-6-7-8-9-10-11-12-13/h3-4H,2,5-12H2,1H3/b4-3+
InChIKeyGEOLWEIOPQGIDZ-ONEGZZNKSA-N
XLogP5.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500247.22
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (E)-12-bromododec-3-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

(3E,16E)-nonadeca-3,16-diene
CID 157471321
1,25-dibromopentacos-12-ene
CID 168864699
(Z)-1-bromotetradec-6-ene
CID 58641109
(E)-18-bromooctadec-6-ene
CID 10711567
(Z)-16-bromohexadec-5-ene
CID 11645149
(E)-15-bromopentadec-5-ene
CID 14309355
(3Z,6Z,9Z,12Z,15Z,18Z)-28-bromooctacosa-3,6,9,12,15,18-hexaene;(10Z,13Z,16Z,19Z,22Z,25Z)-octacosa-10,13,16,19,22,25-hexaen-1-ol
CID 160855326
(18Z)-22-bromodocosa-3,6,9,12,15,18-hexaene
CID 86759790
(E)-1-bromoundec-5-ene
CID 13044969
9-bromo-1,1-bis[(Z)-oct-5-enoxy]nonane
CID 164551897
(5Z,8Z)-17-bromoheptadeca-5,8-diene;ethane
CID 144695117
(6Z,9Z)-18-bromooctadeca-6,9-diene;ethane
CID 143991975

Frequently Asked Questions

What is the IUPAC name of (E)-12-bromododec-3-ene?
The IUPAC name of (E)-12-bromododec-3-ene (CID 20561604) is (E)-12-bromododec-3-ene.
What is the SMILES notation for (E)-12-bromododec-3-ene?
The canonical SMILES for (E)-12-bromododec-3-ene is CC/C=C/CCCCCCCCBr.
What is the InChIKey of (E)-12-bromododec-3-ene?
The InChIKey is GEOLWEIOPQGIDZ-ONEGZZNKSA-N. The full InChI is InChI=1S/C12H23Br/c1-2-3-4-5-6-7-8-9-10-11-12-13/h3-4H,2,5-12H2,1H3/b4-3+.
What are the key properties of (E)-12-bromododec-3-ene?
(E)-12-bromododec-3-ene has a molecular weight of 247.22 g/mol, XLogP of 5.08, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-12-bromododec-3-ene is sourced from PubChem (CID 20561604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).