cyclohexylidenemethylbenzene

C13H16 — CID 4158813

IUPACcyclohexylidenemethylbenzene
SMILESC(=C1CCCCC1)c1ccccc1
InChIInChI=1S/C13H16/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h1,3-4,7-8,11H,2,5-6,9-10H2
InChIKeyPSXRZGCRHVKJIA-UHFFFAOYSA-N
MW172.27 g/mol
LogP4.03
Rot. Bonds1

About cyclohexylidenemethylbenzene

cyclohexylidenemethylbenzene (PubChem CID 4158813) has the molecular formula C13H16 and a molecular weight of 172.27 g/mol. Its IUPAC name is cyclohexylidenemethylbenzene.

Molecular Properties

Compound Namecyclohexylidenemethylbenzene
PubChem CID4158813
Molecular FormulaC13H16
Molecular Weight172.27 g/mol
Exact Mass172.13
IUPAC Namecyclohexylidenemethylbenzene
SMILESC(=C1CCCCC1)c1ccccc1
InChIInChI=1S/C13H16/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h1,3-4,7-8,11H,2,5-6,9-10H2
InChIKeyPSXRZGCRHVKJIA-UHFFFAOYSA-N
XLogP4.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of cyclohexylidenemethylbenzene?
The IUPAC name of cyclohexylidenemethylbenzene (CID 4158813) is cyclohexylidenemethylbenzene.
What is the SMILES notation for cyclohexylidenemethylbenzene?
The canonical SMILES for cyclohexylidenemethylbenzene is C(=C1CCCCC1)c1ccccc1.
What is the InChIKey of cyclohexylidenemethylbenzene?
The InChIKey is PSXRZGCRHVKJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h1,3-4,7-8,11H,2,5-6,9-10H2.
What are the key properties of cyclohexylidenemethylbenzene?
cyclohexylidenemethylbenzene has a molecular weight of 172.27 g/mol, XLogP of 4.03, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylidenemethylbenzene is sourced from PubChem (CID 4158813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).