1-butoxytricyclo[4.3.1.12,5]undecane

C15H26O — CID 54230553

IUPAC1-butoxytricyclo[4.3.1.12,5]undecane
SMILESCCCCOC12CCCC(C1)C1CCC2C1
InChIInChI=1S/C15H26O/c1-2-3-9-16-15-8-4-5-13(11-15)12-6-7-14(15)10-12/h12-14H,2-11H2,1H3
InChIKeyQIYHBVQYAIEUFE-UHFFFAOYSA-N
MW222.37 g/mol
LogP4.16
Rot. Bonds4

About 1-butoxytricyclo[4.3.1.12,5]undecane

1-butoxytricyclo[4.3.1.12,5]undecane (PubChem CID 54230553) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 1-butoxytricyclo[4.3.1.12,5]undecane.

Molecular Properties

Compound Name1-butoxytricyclo[4.3.1.12,5]undecane
PubChem CID54230553
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name1-butoxytricyclo[4.3.1.12,5]undecane
SMILESCCCCOC12CCCC(C1)C1CCC2C1
InChIInChI=1S/C15H26O/c1-2-3-9-16-15-8-4-5-13(11-15)12-6-7-14(15)10-12/h12-14H,2-11H2,1H3
InChIKeyQIYHBVQYAIEUFE-UHFFFAOYSA-N
XLogP4.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.16
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 1-butoxytricyclo[4.3.1.12,5]undecane?
The IUPAC name of 1-butoxytricyclo[4.3.1.12,5]undecane (CID 54230553) is 1-butoxytricyclo[4.3.1.12,5]undecane.
What is the SMILES notation for 1-butoxytricyclo[4.3.1.12,5]undecane?
The canonical SMILES for 1-butoxytricyclo[4.3.1.12,5]undecane is CCCCOC12CCCC(C1)C1CCC2C1.
What is the InChIKey of 1-butoxytricyclo[4.3.1.12,5]undecane?
The InChIKey is QIYHBVQYAIEUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O/c1-2-3-9-16-15-8-4-5-13(11-15)12-6-7-14(15)10-12/h12-14H,2-11H2,1H3.
What are the key properties of 1-butoxytricyclo[4.3.1.12,5]undecane?
1-butoxytricyclo[4.3.1.12,5]undecane has a molecular weight of 222.37 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxytricyclo[4.3.1.12,5]undecane is sourced from PubChem (CID 54230553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).