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

C12H16O3 — CID 90138659

IUPAC7,9-bis(oxiran-2-yl)-3-oxatricyclo[4.3.0.02,4]nonane
SMILESC1OC1C1CC(C2CO2)C2C1CC1OC12
InChIInChI=1S/C12H16O3/c1-5(9-3-13-9)6-2-8-12(15-8)11(6)7(1)10-4-14-10/h5-12H,1-4H2
InChIKeyOOKGUHFOVOZZTQ-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.82
Rot. Bonds2

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

7,9-bis(oxiran-2-yl)-3-oxatricyclo[4.3.0.02,4]nonane (PubChem CID 90138659) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 7,9-bis(oxiran-2-yl)-3-oxatricyclo[4.3.0.02,4]nonane.

Molecular Properties

Compound Name7,9-bis(oxiran-2-yl)-3-oxatricyclo[4.3.0.02,4]nonane
PubChem CID90138659
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name7,9-bis(oxiran-2-yl)-3-oxatricyclo[4.3.0.02,4]nonane
SMILESC1OC1C1CC(C2CO2)C2C1CC1OC12
InChIInChI=1S/C12H16O3/c1-5(9-3-13-9)6-2-8-12(15-8)11(6)7(1)10-4-14-10/h5-12H,1-4H2
InChIKeyOOKGUHFOVOZZTQ-UHFFFAOYSA-N
XLogP0.82
TPSA37.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-cyclopropyl-9-(oxiran-2-yl)-3-oxatricyclo[4.3.0.02,4]nonane
CID 121458537
(1R,8R)-4,10-dioxapentacyclo[6.3.1.02,7.03,5.09,11]dodecane
CID 53393744
(1S,2S,3S,5S,7R,8R,9S,11R)-4,10-dioxapentacyclo[6.3.1.02,7.03,5.09,11]dodecane
CID 99721647
5,12-dioxaheptacyclo[7.6.1.02,8.03,7.04,6.010,15.011,13]hexadecane
CID 123198267
2-(5,6,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxirane
CID 22982993
CID 20640902
CID 20640902
(1S,2S,3R,5R,7R,8S,10S)-4-oxatetracyclo[6.2.1.02,7.03,5]undecan-10-ol
CID 98541977
2-[2,4-bis(oxiran-2-yl)cyclopentyl]oxirane
CID 90112010
11-oxapentacyclo[6.4.0.02,6.03,10.05,9]dodecane
CID 15468109
9-ethenyl-4-oxatetracyclo[6.2.1.02,7.03,5]undecane
CID 59097462
2-(oxiran-2-yl)-7-oxabicyclo[4.1.0]heptane
CID 59720902
4-oxatetracyclo[6.3.1.02,7.03,5]dodecan-10-ol
CID 142049798

Frequently Asked Questions

What is the IUPAC name of 7,9-bis(oxiran-2-yl)-3-oxatricyclo[4.3.0.02,4]nonane?
The IUPAC name of 7,9-bis(oxiran-2-yl)-3-oxatricyclo[4.3.0.02,4]nonane (CID 90138659) is 7,9-bis(oxiran-2-yl)-3-oxatricyclo[4.3.0.02,4]nonane.
What is the SMILES notation for 7,9-bis(oxiran-2-yl)-3-oxatricyclo[4.3.0.02,4]nonane?
The canonical SMILES for 7,9-bis(oxiran-2-yl)-3-oxatricyclo[4.3.0.02,4]nonane is C1OC1C1CC(C2CO2)C2C1CC1OC12.
What is the InChIKey of 7,9-bis(oxiran-2-yl)-3-oxatricyclo[4.3.0.02,4]nonane?
The InChIKey is OOKGUHFOVOZZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-5(9-3-13-9)6-2-8-12(15-8)11(6)7(1)10-4-14-10/h5-12H,1-4H2.
What are the key properties of 7,9-bis(oxiran-2-yl)-3-oxatricyclo[4.3.0.02,4]nonane?
7,9-bis(oxiran-2-yl)-3-oxatricyclo[4.3.0.02,4]nonane has a molecular weight of 208.26 g/mol, XLogP of 0.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9-bis(oxiran-2-yl)-3-oxatricyclo[4.3.0.02,4]nonane is sourced from PubChem (CID 90138659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).