2-methoxy-3-(4-propylcyclohexyl)oxane

C15H28O2 — CID 151018022

IUPAC2-methoxy-3-(4-propylcyclohexyl)oxane
SMILESCCCC1CCC(C2CCCOC2OC)CC1
InChIInChI=1S/C15H28O2/c1-3-5-12-7-9-13(10-8-12)14-6-4-11-17-15(14)16-2/h12-15H,3-11H2,1-2H3
InChIKeyLXMPRPIJZLLJKN-UHFFFAOYSA-N
MW240.39 g/mol
LogP3.99
Rot. Bonds4

About 2-methoxy-3-(4-propylcyclohexyl)oxane

2-methoxy-3-(4-propylcyclohexyl)oxane (PubChem CID 151018022) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-methoxy-3-(4-propylcyclohexyl)oxane.

Molecular Properties

Compound Name2-methoxy-3-(4-propylcyclohexyl)oxane
PubChem CID151018022
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name2-methoxy-3-(4-propylcyclohexyl)oxane
SMILESCCCC1CCC(C2CCCOC2OC)CC1
InChIInChI=1S/C15H28O2/c1-3-5-12-7-9-13(10-8-12)14-6-4-11-17-15(14)16-2/h12-15H,3-11H2,1-2H3
InChIKeyLXMPRPIJZLLJKN-UHFFFAOYSA-N
XLogP3.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-(4-propylcyclohexyl)oxane?
The IUPAC name of 2-methoxy-3-(4-propylcyclohexyl)oxane (CID 151018022) is 2-methoxy-3-(4-propylcyclohexyl)oxane.
What is the SMILES notation for 2-methoxy-3-(4-propylcyclohexyl)oxane?
The canonical SMILES for 2-methoxy-3-(4-propylcyclohexyl)oxane is CCCC1CCC(C2CCCOC2OC)CC1.
What is the InChIKey of 2-methoxy-3-(4-propylcyclohexyl)oxane?
The InChIKey is LXMPRPIJZLLJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-3-5-12-7-9-13(10-8-12)14-6-4-11-17-15(14)16-2/h12-15H,3-11H2,1-2H3.
What are the key properties of 2-methoxy-3-(4-propylcyclohexyl)oxane?
2-methoxy-3-(4-propylcyclohexyl)oxane has a molecular weight of 240.39 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-(4-propylcyclohexyl)oxane is sourced from PubChem (CID 151018022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).