butoxymethylidenecyclohexane

C11H20O — CID 12794829

IUPACbutoxymethylidenecyclohexane
SMILESCCCCOC=C1CCCCC1
InChIInChI=1S/C11H20O/c1-2-3-9-12-10-11-7-5-4-6-8-11/h10H,2-9H2,1H3
InChIKeyGYZLOSJEBGLDMM-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.65
Rot. Bonds4

About butoxymethylidenecyclohexane

butoxymethylidenecyclohexane (PubChem CID 12794829) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is butoxymethylidenecyclohexane.

Molecular Properties

Compound Namebutoxymethylidenecyclohexane
PubChem CID12794829
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Namebutoxymethylidenecyclohexane
SMILESCCCCOC=C1CCCCC1
InChIInChI=1S/C11H20O/c1-2-3-9-12-10-11-7-5-4-6-8-11/h10H,2-9H2,1H3
InChIKeyGYZLOSJEBGLDMM-UHFFFAOYSA-N
XLogP3.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of butoxymethylidenecyclohexane?
The IUPAC name of butoxymethylidenecyclohexane (CID 12794829) is butoxymethylidenecyclohexane.
What is the SMILES notation for butoxymethylidenecyclohexane?
The canonical SMILES for butoxymethylidenecyclohexane is CCCCOC=C1CCCCC1.
What is the InChIKey of butoxymethylidenecyclohexane?
The InChIKey is GYZLOSJEBGLDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-2-3-9-12-10-11-7-5-4-6-8-11/h10H,2-9H2,1H3.
What are the key properties of butoxymethylidenecyclohexane?
butoxymethylidenecyclohexane has a molecular weight of 168.28 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butoxymethylidenecyclohexane is sourced from PubChem (CID 12794829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).