cyclopropylidenecyclohexane

C9H14 — CID 549011

IUPACcyclopropylidenecyclohexane
SMILESC1CCC(=C2CC2)CC1
InChIInChI=1S/C9H14/c1-2-4-8(5-3-1)9-6-7-9/h1-7H2
InChIKeyQBTNAILBCOWYOZ-UHFFFAOYSA-N
MW122.21 g/mol
LogP3.04
Rot. Bonds

About cyclopropylidenecyclohexane

cyclopropylidenecyclohexane (PubChem CID 549011) has the molecular formula C9H14 and a molecular weight of 122.21 g/mol. Its IUPAC name is cyclopropylidenecyclohexane.

Molecular Properties

Compound Namecyclopropylidenecyclohexane
PubChem CID549011
Molecular FormulaC9H14
Molecular Weight122.21 g/mol
Exact Mass122.11
IUPAC Namecyclopropylidenecyclohexane
SMILESC1CCC(=C2CC2)CC1
InChIInChI=1S/C9H14/c1-2-4-8(5-3-1)9-6-7-9/h1-7H2
InChIKeyQBTNAILBCOWYOZ-UHFFFAOYSA-N
XLogP3.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.21
LogP ≤ 53.04
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 cyclopropylidenecyclohexane?
The IUPAC name of cyclopropylidenecyclohexane (CID 549011) is cyclopropylidenecyclohexane.
What is the SMILES notation for cyclopropylidenecyclohexane?
The canonical SMILES for cyclopropylidenecyclohexane is C1CCC(=C2CC2)CC1.
What is the InChIKey of cyclopropylidenecyclohexane?
The InChIKey is QBTNAILBCOWYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14/c1-2-4-8(5-3-1)9-6-7-9/h1-7H2.
What are the key properties of cyclopropylidenecyclohexane?
cyclopropylidenecyclohexane has a molecular weight of 122.21 g/mol, XLogP of 3.04, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylidenecyclohexane is sourced from PubChem (CID 549011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).