(1E)-1-chlorocyclododecene

C12H21Cl — CID 12594200

IUPAC(1E)-1-chlorocyclododecene
SMILESCl/C1=C/CCCCCCCCCC1
InChIInChI=1S/C12H21Cl/c13-12-10-8-6-4-2-1-3-5-7-9-11-12/h10H,1-9,11H2/b12-10+
InChIKeyRSDZFTBTVMZSPI-ZRDIBKRKSA-N
MW200.75 g/mol
LogP5.02
Rot. Bonds

About (1E)-1-chlorocyclododecene

(1E)-1-chlorocyclododecene (PubChem CID 12594200) has the molecular formula C12H21Cl and a molecular weight of 200.75 g/mol. Its IUPAC name is (1E)-1-chlorocyclododecene.

Molecular Properties

Compound Name(1E)-1-chlorocyclododecene
PubChem CID12594200
Molecular FormulaC12H21Cl
Molecular Weight200.75 g/mol
Exact Mass200.13
IUPAC Name(1E)-1-chlorocyclododecene
SMILESCl/C1=C/CCCCCCCCCC1
InChIInChI=1S/C12H21Cl/c13-12-10-8-6-4-2-1-3-5-7-9-11-12/h10H,1-9,11H2/b12-10+
InChIKeyRSDZFTBTVMZSPI-ZRDIBKRKSA-N
XLogP5.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500200.75
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (1E)-1-chlorocyclododecene?
The IUPAC name of (1E)-1-chlorocyclododecene (CID 12594200) is (1E)-1-chlorocyclododecene.
What is the SMILES notation for (1E)-1-chlorocyclododecene?
The canonical SMILES for (1E)-1-chlorocyclododecene is Cl/C1=C/CCCCCCCCCC1.
What is the InChIKey of (1E)-1-chlorocyclododecene?
The InChIKey is RSDZFTBTVMZSPI-ZRDIBKRKSA-N. The full InChI is InChI=1S/C12H21Cl/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-chlorocyclododecene?
(1E)-1-chlorocyclododecene has a molecular weight of 200.75 g/mol, XLogP of 5.02, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-chlorocyclododecene is sourced from PubChem (CID 12594200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).