butoxymethylcyclohexane

C11H22O — CID 23119061

IUPACbutoxymethylcyclohexane
SMILESCCCCOCC1CCCCC1
InChIInChI=1S/C11H22O/c1-2-3-9-12-10-11-7-5-4-6-8-11/h11H,2-10H2,1H3
InChIKeyPYHVZJCWFXSVEX-UHFFFAOYSA-N
MW170.30 g/mol
LogP3.38
Rot. Bonds5

About butoxymethylcyclohexane

butoxymethylcyclohexane (PubChem CID 23119061) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is butoxymethylcyclohexane.

Molecular Properties

Compound Namebutoxymethylcyclohexane
PubChem CID23119061
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Namebutoxymethylcyclohexane
SMILESCCCCOCC1CCCCC1
InChIInChI=1S/C11H22O/c1-2-3-9-12-10-11-7-5-4-6-8-11/h11H,2-10H2,1H3
InChIKeyPYHVZJCWFXSVEX-UHFFFAOYSA-N
XLogP3.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butoxymethylcyclohexane?
The IUPAC name of butoxymethylcyclohexane (CID 23119061) is butoxymethylcyclohexane.
What is the SMILES notation for butoxymethylcyclohexane?
The canonical SMILES for butoxymethylcyclohexane is CCCCOCC1CCCCC1.
What is the InChIKey of butoxymethylcyclohexane?
The InChIKey is PYHVZJCWFXSVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O/c1-2-3-9-12-10-11-7-5-4-6-8-11/h11H,2-10H2,1H3.
What are the key properties of butoxymethylcyclohexane?
butoxymethylcyclohexane has a molecular weight of 170.30 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butoxymethylcyclohexane is sourced from PubChem (CID 23119061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).