1-chlorocyclohexene

C6H9Cl — CID 13593

IUPAC1-chlorocyclohexene
SMILESClC1=CCCCC1
InChIInChI=1S/C6H9Cl/c7-6-4-2-1-3-5-6/h4H,1-3,5H2
InChIKeyBUAKPITZELZWNI-UHFFFAOYSA-N
MW116.59 g/mol
LogP2.68
Rot. Bonds

About 1-chlorocyclohexene

1-chlorocyclohexene (PubChem CID 13593) has the molecular formula C6H9Cl and a molecular weight of 116.59 g/mol. Its IUPAC name is 1-chlorocyclohexene.

Molecular Properties

Compound Name1-chlorocyclohexene
PubChem CID13593
Molecular FormulaC6H9Cl
Molecular Weight116.59 g/mol
Exact Mass116.04
IUPAC Name1-chlorocyclohexene
SMILESClC1=CCCCC1
InChIInChI=1S/C6H9Cl/c7-6-4-2-1-3-5-6/h4H,1-3,5H2
InChIKeyBUAKPITZELZWNI-UHFFFAOYSA-N
XLogP2.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.59
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-Chlorocyclohexene
CID 17120
Cyclopentene, 1-chloro-
CID 136724
4-Chlorocyclohexene
CID 13592
1,6-Dichlorocyclohexene
CID 12211415
1,3-Dichlorocyclohexene
CID 20523448
Cycloheptene, 1-chloro-
CID 565389
4-Chloro-hept-3-ene
CID 21572682
Cyclohexene, dichloro-
CID 12211414
(Z)-3-Chlorhex-2-en
CID 12734570
3-Chlorohept-2-ene
CID 53773952
4-Chlorohept-3-ene
CID 71383203
(e)-3-Chloro-2-hexene
CID 88589144

Frequently Asked Questions

What is the IUPAC name of 1-chlorocyclohexene?
The IUPAC name of 1-chlorocyclohexene (CID 13593) is 1-chlorocyclohexene.
What is the SMILES notation for 1-chlorocyclohexene?
The canonical SMILES for 1-chlorocyclohexene is ClC1=CCCCC1.
What is the InChIKey of 1-chlorocyclohexene?
The InChIKey is BUAKPITZELZWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9Cl/c7-6-4-2-1-3-5-6/h4H,1-3,5H2.
What are the key properties of 1-chlorocyclohexene?
1-chlorocyclohexene has a molecular weight of 116.59 g/mol, XLogP of 2.68, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chlorocyclohexene is sourced from PubChem (CID 13593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).