(1E)-1-bromocyclododecene

C12H21Br — CID 12594202

IUPAC(1E)-1-bromocyclododecene
SMILESBr/C1=C/CCCCCCCCCC1
InChIInChI=1S/C12H21Br/c13-12-10-8-6-4-2-1-3-5-7-9-11-12/h10H,1-9,11H2/b12-10+
InChIKeyUKJDJUUQFNRSDY-ZRDIBKRKSA-N
MW245.20 g/mol
LogP5.18
Rot. Bonds

About (1E)-1-bromocyclododecene

(1E)-1-bromocyclododecene (PubChem CID 12594202) has the molecular formula C12H21Br and a molecular weight of 245.20 g/mol. Its IUPAC name is (1E)-1-bromocyclododecene.

Molecular Properties

Compound Name(1E)-1-bromocyclododecene
PubChem CID12594202
Molecular FormulaC12H21Br
Molecular Weight245.20 g/mol
Exact Mass244.08
IUPAC Name(1E)-1-bromocyclododecene
SMILESBr/C1=C/CCCCCCCCCC1
InChIInChI=1S/C12H21Br/c13-12-10-8-6-4-2-1-3-5-7-9-11-12/h10H,1-9,11H2/b12-10+
InChIKeyUKJDJUUQFNRSDY-ZRDIBKRKSA-N
XLogP5.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500245.20
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(1E,8E)-1,8-dibromocyclotetradeca-1,8-diene
CID 11792107
1-bromocyclohexene
CID 519775
(1E)-1-bromo-8-methylidenecyclooctene
CID 102038529
1-(cyclodecen-1-yl)cyclodecene
CID 54296371
(1E)-1-[(1E)-cyclopentadecen-1-yl]cyclopentadecene
CID 139760940
lithium (1E)-cyclododecen-1-olate
CID 23682255
1-(cyclopenten-1-yl)cyclooctene
CID 91463872
(1E)-1-iodocyclononene
CID 169083106
(1Z)-cyclododecen-1-ol
CID 69035385
cyclohexadecen-1-amine
CID 175415425
cyclodecen-1-yl-[(1E)-cyclodecen-1-yl]phosphane
CID 173167887
1-iodocyclodecene
CID 72665352

Frequently Asked Questions

What is the IUPAC name of (1E)-1-bromocyclododecene?
The IUPAC name of (1E)-1-bromocyclododecene (CID 12594202) is (1E)-1-bromocyclododecene.
What is the SMILES notation for (1E)-1-bromocyclododecene?
The canonical SMILES for (1E)-1-bromocyclododecene is Br/C1=C/CCCCCCCCCC1.
What is the InChIKey of (1E)-1-bromocyclododecene?
The InChIKey is UKJDJUUQFNRSDY-ZRDIBKRKSA-N. The full InChI is InChI=1S/C12H21Br/c13-12-10-8-6-4-2-1-3-5-7-9-11-12/h10H,1-9,11H2/b12-10+.
What are the key properties of (1E)-1-bromocyclododecene?
(1E)-1-bromocyclododecene has a molecular weight of 245.20 g/mol, XLogP of 5.18, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-bromocyclododecene is sourced from PubChem (CID 12594202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).