ethylidenecyclohexane

C8H14 — CID 13856

IUPACethylidenecyclohexane
SMILESCC=C1CCCCC1
InChIInChI=1S/C8H14/c1-2-8-6-4-3-5-7-8/h2H,3-7H2,1H3
InChIKeyBPBOWYWUOUJKLO-UHFFFAOYSA-N
MW110.20 g/mol
LogP2.90
Rot. Bonds

About ethylidenecyclohexane

ethylidenecyclohexane (PubChem CID 13856) has the molecular formula C8H14 and a molecular weight of 110.20 g/mol. Its IUPAC name is ethylidenecyclohexane.

Molecular Properties

Compound Nameethylidenecyclohexane
PubChem CID13856
Molecular FormulaC8H14
Molecular Weight110.20 g/mol
Exact Mass110.11
IUPAC Nameethylidenecyclohexane
SMILESCC=C1CCCCC1
InChIInChI=1S/C8H14/c1-2-8-6-4-3-5-7-8/h2H,3-7H2,1H3
InChIKeyBPBOWYWUOUJKLO-UHFFFAOYSA-N
XLogP2.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.20
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethylidenecyclohexane?
The IUPAC name of ethylidenecyclohexane (CID 13856) is ethylidenecyclohexane.
What is the SMILES notation for ethylidenecyclohexane?
The canonical SMILES for ethylidenecyclohexane is CC=C1CCCCC1.
What is the InChIKey of ethylidenecyclohexane?
The InChIKey is BPBOWYWUOUJKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14/c1-2-8-6-4-3-5-7-8/h2H,3-7H2,1H3.
What are the key properties of ethylidenecyclohexane?
ethylidenecyclohexane has a molecular weight of 110.20 g/mol, XLogP of 2.90, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethylidenecyclohexane is sourced from PubChem (CID 13856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).