butylidenecyclohexane

C10H18 — CID 549155

IUPACbutylidenecyclohexane
SMILESCCCC=C1CCCCC1
InChIInChI=1S/C10H18/c1-2-3-7-10-8-5-4-6-9-10/h7H,2-6,8-9H2,1H3
InChIKeyDVJPAIYXIZTKPM-UHFFFAOYSA-N
MW138.25 g/mol
LogP3.68
Rot. Bonds2

About butylidenecyclohexane

butylidenecyclohexane (PubChem CID 549155) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is butylidenecyclohexane.

Molecular Properties

Compound Namebutylidenecyclohexane
PubChem CID549155
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Namebutylidenecyclohexane
SMILESCCCC=C1CCCCC1
InChIInChI=1S/C10H18/c1-2-3-7-10-8-5-4-6-9-10/h7H,2-6,8-9H2,1H3
InChIKeyDVJPAIYXIZTKPM-UHFFFAOYSA-N
XLogP3.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 53.68
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 butylidenecyclohexane?
The IUPAC name of butylidenecyclohexane (CID 549155) is butylidenecyclohexane.
What is the SMILES notation for butylidenecyclohexane?
The canonical SMILES for butylidenecyclohexane is CCCC=C1CCCCC1.
What is the InChIKey of butylidenecyclohexane?
The InChIKey is DVJPAIYXIZTKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18/c1-2-3-7-10-8-5-4-6-9-10/h7H,2-6,8-9H2,1H3.
What are the key properties of butylidenecyclohexane?
butylidenecyclohexane has a molecular weight of 138.25 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butylidenecyclohexane is sourced from PubChem (CID 549155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).