3-[2-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)ethyl]-2,2-dimethyloxirane

C15H24O — CID 15433328

IUPAC3-[2-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)ethyl]-2,2-dimethyloxirane
SMILESCC1(C)OC1CCC1(C)C2CC3C(C2)C31C
InChIInChI=1S/C15H24O/c1-13(2)12(16-13)5-6-14(3)9-7-10-11(8-9)15(10,14)4/h9-12H,5-8H2,1-4H3
InChIKeyGFEGJYMPIPGGTE-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.63
Rot. Bonds3

About 3-[2-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)ethyl]-2,2-dimethyloxirane

3-[2-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)ethyl]-2,2-dimethyloxirane (PubChem CID 15433328) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 3-[2-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)ethyl]-2,2-dimethyloxirane.

Molecular Properties

Compound Name3-[2-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)ethyl]-2,2-dimethyloxirane
PubChem CID15433328
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name3-[2-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)ethyl]-2,2-dimethyloxirane
SMILESCC1(C)OC1CCC1(C)C2CC3C(C2)C31C
InChIInChI=1S/C15H24O/c1-13(2)12(16-13)5-6-14(3)9-7-10-11(8-9)15(10,14)4/h9-12H,5-8H2,1-4H3
InChIKeyGFEGJYMPIPGGTE-UHFFFAOYSA-N
XLogP3.63
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.63
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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Related Compounds

[(1R,2S)-2-[2-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)ethyl]-1-methylcyclopropyl]methanol
CID 67159508
3-[(1S,3R,6S)-2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl]propanal
CID 23228573
(2R,6S,7R)-7-(iodomethyl)-1,7-dimethyltricyclo[2.2.1.02,6]heptane
CID 97289307
5-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)-2-methylpentan-1-ol
CID 14345658
(6R,7R)-1,7-dimethyl-7-(4-methylpent-3-enyl)tricyclo[2.2.1.02,6]heptane
CID 56928116
1,7-dimethyl-7-(4-methylpent-4-enyl)tricyclo[2.2.1.02,6]heptane
CID 57227275
(E)-5-[(3S)-2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl]-2-methylpent-2-en-1-ol
CID 175773701
(3R)-2,2-dimethyl-3-(3-methylbutyl)oxirane
CID 59051060
3-[2-(3,3-dimethyloxiran-2-yl)ethyl]-7-oxabicyclo[4.1.0]heptane
CID 143374563
(2R,6S,7R)-1,7-dimethyl-7-(2-methylprop-1-enoxymethyl)tricyclo[2.2.1.02,6]heptane
CID 98125613
1,7-dimethyl-7-(2-methylprop-1-enoxymethyl)tricyclo[2.2.1.02,6]heptane
CID 84820832
(E)-5-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)-2-methylpent-3-en-2-ol
CID 5318339

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)ethyl]-2,2-dimethyloxirane?
The IUPAC name of 3-[2-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)ethyl]-2,2-dimethyloxirane (CID 15433328) is 3-[2-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)ethyl]-2,2-dimethyloxirane.
What is the SMILES notation for 3-[2-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)ethyl]-2,2-dimethyloxirane?
The canonical SMILES for 3-[2-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)ethyl]-2,2-dimethyloxirane is CC1(C)OC1CCC1(C)C2CC3C(C2)C31C.
What is the InChIKey of 3-[2-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)ethyl]-2,2-dimethyloxirane?
The InChIKey is GFEGJYMPIPGGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-13(2)12(16-13)5-6-14(3)9-7-10-11(8-9)15(10,14)4/h9-12H,5-8H2,1-4H3.
What are the key properties of 3-[2-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)ethyl]-2,2-dimethyloxirane?
3-[2-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)ethyl]-2,2-dimethyloxirane has a molecular weight of 220.36 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)ethyl]-2,2-dimethyloxirane is sourced from PubChem (CID 15433328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).