butoxycyclohexane

C10H20O — CID 13299482

IUPACbutoxycyclohexane
SMILESCCCCOC1CCCCC1
InChIInChI=1S/C10H20O/c1-2-3-9-11-10-7-5-4-6-8-10/h10H,2-9H2,1H3
InChIKeyGKRALBJDXHXFNB-UHFFFAOYSA-N
MW156.27 g/mol
LogP3.14
Rot. Bonds4

About butoxycyclohexane

butoxycyclohexane (PubChem CID 13299482) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is butoxycyclohexane.

Molecular Properties

Compound Namebutoxycyclohexane
PubChem CID13299482
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Namebutoxycyclohexane
SMILESCCCCOC1CCCCC1
InChIInChI=1S/C10H20O/c1-2-3-9-11-10-7-5-4-6-8-10/h10H,2-9H2,1H3
InChIKeyGKRALBJDXHXFNB-UHFFFAOYSA-N
XLogP3.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 53.14
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 butoxycyclohexane?
The IUPAC name of butoxycyclohexane (CID 13299482) is butoxycyclohexane.
What is the SMILES notation for butoxycyclohexane?
The canonical SMILES for butoxycyclohexane is CCCCOC1CCCCC1.
What is the InChIKey of butoxycyclohexane?
The InChIKey is GKRALBJDXHXFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O/c1-2-3-9-11-10-7-5-4-6-8-10/h10H,2-9H2,1H3.
What are the key properties of butoxycyclohexane?
butoxycyclohexane has a molecular weight of 156.27 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butoxycyclohexane is sourced from PubChem (CID 13299482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).