2-(cyclopropylmethyl)-7-oxabicyclo[4.1.0]heptane

C10H16O — CID 88875670

IUPAC2-(cyclopropylmethyl)-7-oxabicyclo[4.1.0]heptane
SMILESC1CC(CC2CC2)C2OC2C1
InChIInChI=1S/C10H16O/c1-2-8(6-7-4-5-7)10-9(3-1)11-10/h7-10H,1-6H2
InChIKeyMEENPYGNOCEZPF-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.35
Rot. Bonds2

About 2-(cyclopropylmethyl)-7-oxabicyclo[4.1.0]heptane

2-(cyclopropylmethyl)-7-oxabicyclo[4.1.0]heptane (PubChem CID 88875670) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-7-oxabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-7-oxabicyclo[4.1.0]heptane
PubChem CID88875670
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name2-(cyclopropylmethyl)-7-oxabicyclo[4.1.0]heptane
SMILESC1CC(CC2CC2)C2OC2C1
InChIInChI=1S/C10H16O/c1-2-8(6-7-4-5-7)10-9(3-1)11-10/h7-10H,1-6H2
InChIKeyMEENPYGNOCEZPF-UHFFFAOYSA-N
XLogP2.35
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2-(cyclopropylmethyl)-7-oxabicyclo[4.1.0]heptane?
The IUPAC name of 2-(cyclopropylmethyl)-7-oxabicyclo[4.1.0]heptane (CID 88875670) is 2-(cyclopropylmethyl)-7-oxabicyclo[4.1.0]heptane.
What is the SMILES notation for 2-(cyclopropylmethyl)-7-oxabicyclo[4.1.0]heptane?
The canonical SMILES for 2-(cyclopropylmethyl)-7-oxabicyclo[4.1.0]heptane is C1CC(CC2CC2)C2OC2C1.
What is the InChIKey of 2-(cyclopropylmethyl)-7-oxabicyclo[4.1.0]heptane?
The InChIKey is MEENPYGNOCEZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-2-8(6-7-4-5-7)10-9(3-1)11-10/h7-10H,1-6H2.
What are the key properties of 2-(cyclopropylmethyl)-7-oxabicyclo[4.1.0]heptane?
2-(cyclopropylmethyl)-7-oxabicyclo[4.1.0]heptane has a molecular weight of 152.24 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-7-oxabicyclo[4.1.0]heptane is sourced from PubChem (CID 88875670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).