cyclohexen-1-ylbenzene

C12H14 — CID 13043

IUPACcyclohexen-1-ylbenzene
SMILESC1=C(c2ccccc2)CCCC1
InChIInChI=1S/C12H14/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1,3-4,7-9H,2,5-6,10H2
InChIKeyWCMSFBRREKZZFL-UHFFFAOYSA-N
MW158.24 g/mol
LogP3.64
Rot. Bonds1

About cyclohexen-1-ylbenzene

cyclohexen-1-ylbenzene (PubChem CID 13043) has the molecular formula C12H14 and a molecular weight of 158.24 g/mol. Its IUPAC name is cyclohexen-1-ylbenzene.

Molecular Properties

Compound Namecyclohexen-1-ylbenzene
PubChem CID13043
Molecular FormulaC12H14
Molecular Weight158.24 g/mol
Exact Mass158.11
IUPAC Namecyclohexen-1-ylbenzene
SMILESC1=C(c2ccccc2)CCCC1
InChIInChI=1S/C12H14/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1,3-4,7-9H,2,5-6,10H2
InChIKeyWCMSFBRREKZZFL-UHFFFAOYSA-N
XLogP3.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of cyclohexen-1-ylbenzene?
The IUPAC name of cyclohexen-1-ylbenzene (CID 13043) is cyclohexen-1-ylbenzene.
What is the SMILES notation for cyclohexen-1-ylbenzene?
The canonical SMILES for cyclohexen-1-ylbenzene is C1=C(c2ccccc2)CCCC1.
What is the InChIKey of cyclohexen-1-ylbenzene?
The InChIKey is WCMSFBRREKZZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1,3-4,7-9H,2,5-6,10H2.
What are the key properties of cyclohexen-1-ylbenzene?
cyclohexen-1-ylbenzene has a molecular weight of 158.24 g/mol, XLogP of 3.64, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexen-1-ylbenzene is sourced from PubChem (CID 13043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).