2-(4-tricyclo[5.2.1.02,6]decanyloxymethyl)oxirane

C13H20O2 — CID 58519968

IUPAC2-(4-tricyclo[5.2.1.02,6]decanyloxymethyl)oxirane
SMILESC1OC1COC1CC2C3CCC(C3)C2C1
InChIInChI=1S/C13H20O2/c1-2-9-3-8(1)12-4-10(5-13(9)12)14-6-11-7-15-11/h8-13H,1-7H2
InChIKeyKNSYYKUHEAELBL-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.23
Rot. Bonds3

About 2-(4-tricyclo[5.2.1.02,6]decanyloxymethyl)oxirane

2-(4-tricyclo[5.2.1.02,6]decanyloxymethyl)oxirane (PubChem CID 58519968) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-(4-tricyclo[5.2.1.02,6]decanyloxymethyl)oxirane.

Molecular Properties

Compound Name2-(4-tricyclo[5.2.1.02,6]decanyloxymethyl)oxirane
PubChem CID58519968
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name2-(4-tricyclo[5.2.1.02,6]decanyloxymethyl)oxirane
SMILESC1OC1COC1CC2C3CCC(C3)C2C1
InChIInChI=1S/C13H20O2/c1-2-9-3-8(1)12-4-10(5-13(9)12)14-6-11-7-15-11/h8-13H,1-7H2
InChIKeyKNSYYKUHEAELBL-UHFFFAOYSA-N
XLogP2.23
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.23
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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Related Compounds

(1S,5S)-8-methyl-3-[[(2R)-oxiran-2-yl]methoxy]-8-azabicyclo[3.2.1]octane
CID 124554723
2-(4-tricyclo[5.2.1.02,6]decanyloxy)ethanol
CID 54219899
2-[[4-(4-propylcyclohexyl)cyclohexyl]oxymethyl]oxirane
CID 58895347
3-(oxiran-2-ylmethoxy)cyclohexan-1-ol
CID 118671193
2-[[4-(methoxymethyl)cyclohexyl]oxymethyl]oxirane
CID 167078198
(2R)-2-[[(1R,2S)-2-[[(2S)-oxiran-2-yl]methoxy]cyclohexyl]oxymethyl]oxirane
CID 129448945
2-[[3,4-bis(oxiran-2-ylmethyl)cyclohexyl]oxymethyl]oxirane;methanamine
CID 174996449
2-[[3-ethyl-4-[[2-ethyl-4-(oxiran-2-ylmethoxy)cyclohexyl]methyl]cyclohexyl]oxymethyl]oxirane
CID 139990267
CID 59015329
CID 59015329
2-[3-(oxiran-2-ylmethoxy)cyclopentyl]oxyethanesulfonic acid
CID 165102212
2-methoxy-3-[[3-(oxiran-2-ylmethoxy)-2-bicyclo[2.2.1]heptanyl]oxy]propan-1-ol;yttrium
CID 58841658
(1S,2S,4S,5S)-tricyclo[3.2.1.02,4]octane
CID 124938048

Frequently Asked Questions

What is the IUPAC name of 2-(4-tricyclo[5.2.1.02,6]decanyloxymethyl)oxirane?
The IUPAC name of 2-(4-tricyclo[5.2.1.02,6]decanyloxymethyl)oxirane (CID 58519968) is 2-(4-tricyclo[5.2.1.02,6]decanyloxymethyl)oxirane.
What is the SMILES notation for 2-(4-tricyclo[5.2.1.02,6]decanyloxymethyl)oxirane?
The canonical SMILES for 2-(4-tricyclo[5.2.1.02,6]decanyloxymethyl)oxirane is C1OC1COC1CC2C3CCC(C3)C2C1.
What is the InChIKey of 2-(4-tricyclo[5.2.1.02,6]decanyloxymethyl)oxirane?
The InChIKey is KNSYYKUHEAELBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-2-9-3-8(1)12-4-10(5-13(9)12)14-6-11-7-15-11/h8-13H,1-7H2.
What are the key properties of 2-(4-tricyclo[5.2.1.02,6]decanyloxymethyl)oxirane?
2-(4-tricyclo[5.2.1.02,6]decanyloxymethyl)oxirane has a molecular weight of 208.30 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tricyclo[5.2.1.02,6]decanyloxymethyl)oxirane is sourced from PubChem (CID 58519968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).