3-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)propan-2-yl]-7-oxabicyclo[4.1.0]heptane

C15H24O2 — CID 11390727

IUPAC3-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)propan-2-yl]-7-oxabicyclo[4.1.0]heptane
SMILESCC(C)(C1CCC2OC2C1)C1CCC2OC2C1
InChIInChI=1S/C15H24O2/c1-15(2,9-3-5-11-13(7-9)16-11)10-4-6-12-14(8-10)17-12/h9-14H,3-8H2,1-2H3
InChIKeyHVMHLMJYHBAOPL-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.15
Rot. Bonds2

About 3-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)propan-2-yl]-7-oxabicyclo[4.1.0]heptane

3-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)propan-2-yl]-7-oxabicyclo[4.1.0]heptane (PubChem CID 11390727) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 3-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)propan-2-yl]-7-oxabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name3-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)propan-2-yl]-7-oxabicyclo[4.1.0]heptane
PubChem CID11390727
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name3-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)propan-2-yl]-7-oxabicyclo[4.1.0]heptane
SMILESCC(C)(C1CCC2OC2C1)C1CCC2OC2C1
InChIInChI=1S/C15H24O2/c1-15(2,9-3-5-11-13(7-9)16-11)10-4-6-12-14(8-10)17-12/h9-14H,3-8H2,1-2H3
InChIKeyHVMHLMJYHBAOPL-UHFFFAOYSA-N
XLogP3.15
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)propan-2-yl]-7-oxabicyclo[4.1.0]heptane?
The IUPAC name of 3-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)propan-2-yl]-7-oxabicyclo[4.1.0]heptane (CID 11390727) is 3-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)propan-2-yl]-7-oxabicyclo[4.1.0]heptane.
What is the SMILES notation for 3-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)propan-2-yl]-7-oxabicyclo[4.1.0]heptane?
The canonical SMILES for 3-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)propan-2-yl]-7-oxabicyclo[4.1.0]heptane is CC(C)(C1CCC2OC2C1)C1CCC2OC2C1.
What is the InChIKey of 3-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)propan-2-yl]-7-oxabicyclo[4.1.0]heptane?
The InChIKey is HVMHLMJYHBAOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-15(2,9-3-5-11-13(7-9)16-11)10-4-6-12-14(8-10)17-12/h9-14H,3-8H2,1-2H3.
What are the key properties of 3-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)propan-2-yl]-7-oxabicyclo[4.1.0]heptane?
3-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)propan-2-yl]-7-oxabicyclo[4.1.0]heptane has a molecular weight of 236.35 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)propan-2-yl]-7-oxabicyclo[4.1.0]heptane is sourced from PubChem (CID 11390727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).