3-decoxy-1-methyl-7-oxabicyclo[4.1.0]heptane

C17H32O2 — CID 58963662

IUPAC3-decoxy-1-methyl-7-oxabicyclo[4.1.0]heptane
SMILESCCCCCCCCCCOC1CCC2OC2(C)C1
InChIInChI=1S/C17H32O2/c1-3-4-5-6-7-8-9-10-13-18-15-11-12-16-17(2,14-15)19-16/h15-16H,3-14H2,1-2H3
InChIKeySOWRLLLODPCKLC-UHFFFAOYSA-N
MW268.44 g/mol
LogP4.85
Rot. Bonds10

About 3-decoxy-1-methyl-7-oxabicyclo[4.1.0]heptane

3-decoxy-1-methyl-7-oxabicyclo[4.1.0]heptane (PubChem CID 58963662) has the molecular formula C17H32O2 and a molecular weight of 268.44 g/mol. Its IUPAC name is 3-decoxy-1-methyl-7-oxabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name3-decoxy-1-methyl-7-oxabicyclo[4.1.0]heptane
PubChem CID58963662
Molecular FormulaC17H32O2
Molecular Weight268.44 g/mol
Exact Mass268.24
IUPAC Name3-decoxy-1-methyl-7-oxabicyclo[4.1.0]heptane
SMILESCCCCCCCCCCOC1CCC2OC2(C)C1
InChIInChI=1S/C17H32O2/c1-3-4-5-6-7-8-9-10-13-18-15-11-12-16-17(2,14-15)19-16/h15-16H,3-14H2,1-2H3
InChIKeySOWRLLLODPCKLC-UHFFFAOYSA-N
XLogP4.85
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-decoxy-1-methyl-7-oxabicyclo[4.1.0]heptane?
The IUPAC name of 3-decoxy-1-methyl-7-oxabicyclo[4.1.0]heptane (CID 58963662) is 3-decoxy-1-methyl-7-oxabicyclo[4.1.0]heptane.
What is the SMILES notation for 3-decoxy-1-methyl-7-oxabicyclo[4.1.0]heptane?
The canonical SMILES for 3-decoxy-1-methyl-7-oxabicyclo[4.1.0]heptane is CCCCCCCCCCOC1CCC2OC2(C)C1.
What is the InChIKey of 3-decoxy-1-methyl-7-oxabicyclo[4.1.0]heptane?
The InChIKey is SOWRLLLODPCKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O2/c1-3-4-5-6-7-8-9-10-13-18-15-11-12-16-17(2,14-15)19-16/h15-16H,3-14H2,1-2H3.
What are the key properties of 3-decoxy-1-methyl-7-oxabicyclo[4.1.0]heptane?
3-decoxy-1-methyl-7-oxabicyclo[4.1.0]heptane has a molecular weight of 268.44 g/mol, XLogP of 4.85, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-decoxy-1-methyl-7-oxabicyclo[4.1.0]heptane is sourced from PubChem (CID 58963662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).