(1E)-1-(2-chlorophenyl)cyclodecene

C16H21Cl — CID 165358965

IUPAC(1E)-1-(2-chlorophenyl)cyclodecene
SMILESClc1ccccc1/C1=C/CCCCCCCC1
InChIInChI=1S/C16H21Cl/c17-16-13-9-8-12-15(16)14-10-6-4-2-1-3-5-7-11-14/h8-10,12-13H,1-7,11H2/b14-10+
InChIKeyXDVSDNLNQYWZNQ-GXDHUFHOSA-N
MW248.80 g/mol
LogP5.86
Rot. Bonds1

About (1E)-1-(2-chlorophenyl)cyclodecene

(1E)-1-(2-chlorophenyl)cyclodecene (PubChem CID 165358965) has the molecular formula C16H21Cl and a molecular weight of 248.80 g/mol. Its IUPAC name is (1E)-1-(2-chlorophenyl)cyclodecene.

Molecular Properties

Compound Name(1E)-1-(2-chlorophenyl)cyclodecene
PubChem CID165358965
Molecular FormulaC16H21Cl
Molecular Weight248.80 g/mol
Exact Mass248.13
IUPAC Name(1E)-1-(2-chlorophenyl)cyclodecene
SMILESClc1ccccc1/C1=C/CCCCCCCC1
InChIInChI=1S/C16H21Cl/c17-16-13-9-8-12-15(16)14-10-6-4-2-1-3-5-7-11-14/h8-10,12-13H,1-7,11H2/b14-10+
InChIKeyXDVSDNLNQYWZNQ-GXDHUFHOSA-N
XLogP5.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.80
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (1E)-1-(2-chlorophenyl)cyclodecene?
The IUPAC name of (1E)-1-(2-chlorophenyl)cyclodecene (CID 165358965) is (1E)-1-(2-chlorophenyl)cyclodecene.
What is the SMILES notation for (1E)-1-(2-chlorophenyl)cyclodecene?
The canonical SMILES for (1E)-1-(2-chlorophenyl)cyclodecene is Clc1ccccc1/C1=C/CCCCCCCC1.
What is the InChIKey of (1E)-1-(2-chlorophenyl)cyclodecene?
The InChIKey is XDVSDNLNQYWZNQ-GXDHUFHOSA-N. The full InChI is InChI=1S/C16H21Cl/c17-16-13-9-8-12-15(16)14-10-6-4-2-1-3-5-7-11-14/h8-10,12-13H,1-7,11H2/b14-10+.
What are the key properties of (1E)-1-(2-chlorophenyl)cyclodecene?
(1E)-1-(2-chlorophenyl)cyclodecene has a molecular weight of 248.80 g/mol, XLogP of 5.86, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-(2-chlorophenyl)cyclodecene is sourced from PubChem (CID 165358965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).