4-methoxybutylidenecyclohexane

C11H20O — CID 3022299

IUPAC4-methoxybutylidenecyclohexane
SMILESCOCCCC=C1CCCCC1
InChIInChI=1S/C11H20O/c1-12-10-6-5-9-11-7-3-2-4-8-11/h9H,2-8,10H2,1H3
InChIKeyVALMDEDTYYMWAS-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.30
Rot. Bonds4

About 4-methoxybutylidenecyclohexane

4-methoxybutylidenecyclohexane (PubChem CID 3022299) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 4-methoxybutylidenecyclohexane.

Molecular Properties

Compound Name4-methoxybutylidenecyclohexane
PubChem CID3022299
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name4-methoxybutylidenecyclohexane
SMILESCOCCCC=C1CCCCC1
InChIInChI=1S/C11H20O/c1-12-10-6-5-9-11-7-3-2-4-8-11/h9H,2-8,10H2,1H3
InChIKeyVALMDEDTYYMWAS-UHFFFAOYSA-N
XLogP3.30
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 ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methoxybutylidenecyclohexane?
The IUPAC name of 4-methoxybutylidenecyclohexane (CID 3022299) is 4-methoxybutylidenecyclohexane.
What is the SMILES notation for 4-methoxybutylidenecyclohexane?
The canonical SMILES for 4-methoxybutylidenecyclohexane is COCCCC=C1CCCCC1.
What is the InChIKey of 4-methoxybutylidenecyclohexane?
The InChIKey is VALMDEDTYYMWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-12-10-6-5-9-11-7-3-2-4-8-11/h9H,2-8,10H2,1H3.
What are the key properties of 4-methoxybutylidenecyclohexane?
4-methoxybutylidenecyclohexane has a molecular weight of 168.28 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxybutylidenecyclohexane is sourced from PubChem (CID 3022299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).