7-cyclopropyl-9-(oxiran-2-yl)-3-oxatricyclo[4.3.0.02,4]nonane

C13H18O2 — CID 121458537

IUPAC7-cyclopropyl-9-(oxiran-2-yl)-3-oxatricyclo[4.3.0.02,4]nonane
SMILESC1CC1C1CC(C2CO2)C2C1CC1OC12
InChIInChI=1S/C13H18O2/c1-2-6(1)7-3-9(11-5-14-11)12-8(7)4-10-13(12)15-10/h6-13H,1-5H2
InChIKeyYPFBVCCIDVRFMN-UHFFFAOYSA-N
MW206.28 g/mol
LogP1.83
Rot. Bonds2

About 7-cyclopropyl-9-(oxiran-2-yl)-3-oxatricyclo[4.3.0.02,4]nonane

7-cyclopropyl-9-(oxiran-2-yl)-3-oxatricyclo[4.3.0.02,4]nonane (PubChem CID 121458537) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 7-cyclopropyl-9-(oxiran-2-yl)-3-oxatricyclo[4.3.0.02,4]nonane.

Molecular Properties

Compound Name7-cyclopropyl-9-(oxiran-2-yl)-3-oxatricyclo[4.3.0.02,4]nonane
PubChem CID121458537
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name7-cyclopropyl-9-(oxiran-2-yl)-3-oxatricyclo[4.3.0.02,4]nonane
SMILESC1CC1C1CC(C2CO2)C2C1CC1OC12
InChIInChI=1S/C13H18O2/c1-2-6(1)7-3-9(11-5-14-11)12-8(7)4-10-13(12)15-10/h6-13H,1-5H2
InChIKeyYPFBVCCIDVRFMN-UHFFFAOYSA-N
XLogP1.83
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 51.83
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 7-cyclopropyl-9-(oxiran-2-yl)-3-oxatricyclo[4.3.0.02,4]nonane?
The IUPAC name of 7-cyclopropyl-9-(oxiran-2-yl)-3-oxatricyclo[4.3.0.02,4]nonane (CID 121458537) is 7-cyclopropyl-9-(oxiran-2-yl)-3-oxatricyclo[4.3.0.02,4]nonane.
What is the SMILES notation for 7-cyclopropyl-9-(oxiran-2-yl)-3-oxatricyclo[4.3.0.02,4]nonane?
The canonical SMILES for 7-cyclopropyl-9-(oxiran-2-yl)-3-oxatricyclo[4.3.0.02,4]nonane is C1CC1C1CC(C2CO2)C2C1CC1OC12.
What is the InChIKey of 7-cyclopropyl-9-(oxiran-2-yl)-3-oxatricyclo[4.3.0.02,4]nonane?
The InChIKey is YPFBVCCIDVRFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-2-6(1)7-3-9(11-5-14-11)12-8(7)4-10-13(12)15-10/h6-13H,1-5H2.
What are the key properties of 7-cyclopropyl-9-(oxiran-2-yl)-3-oxatricyclo[4.3.0.02,4]nonane?
7-cyclopropyl-9-(oxiran-2-yl)-3-oxatricyclo[4.3.0.02,4]nonane has a molecular weight of 206.28 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopropyl-9-(oxiran-2-yl)-3-oxatricyclo[4.3.0.02,4]nonane is sourced from PubChem (CID 121458537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).