1-chlorocyclododecene

C12H21Cl — CID 54270377

IUPAC1-chlorocyclododecene
SMILESClC1=CCCCCCCCCCC1
InChIInChI=1S/C12H21Cl/c13-12-10-8-6-4-2-1-3-5-7-9-11-12/h10H,1-9,11H2
InChIKeyRSDZFTBTVMZSPI-UHFFFAOYSA-N
MW200.75 g/mol
LogP5.02
Rot. Bonds

About 1-chlorocyclododecene

1-chlorocyclododecene (PubChem CID 54270377) has the molecular formula C12H21Cl and a molecular weight of 200.75 g/mol. Its IUPAC name is 1-chlorocyclododecene.

Molecular Properties

Compound Name1-chlorocyclododecene
PubChem CID54270377
Molecular FormulaC12H21Cl
Molecular Weight200.75 g/mol
Exact Mass200.13
IUPAC Name1-chlorocyclododecene
SMILESClC1=CCCCCCCCCCC1
InChIInChI=1S/C12H21Cl/c13-12-10-8-6-4-2-1-3-5-7-9-11-12/h10H,1-9,11H2
InChIKeyRSDZFTBTVMZSPI-UHFFFAOYSA-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 1-chlorocyclododecene?
The IUPAC name of 1-chlorocyclododecene (CID 54270377) is 1-chlorocyclododecene.
What is the SMILES notation for 1-chlorocyclododecene?
The canonical SMILES for 1-chlorocyclododecene is ClC1=CCCCCCCCCCC1.
What is the InChIKey of 1-chlorocyclododecene?
The InChIKey is RSDZFTBTVMZSPI-UHFFFAOYSA-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.
What are the key properties of 1-chlorocyclododecene?
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 1-chlorocyclododecene is sourced from PubChem (CID 54270377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).