6-ethyl-2-methyl-4,5,6,7,8,9-hexahydrocycloocta[d][1,3]oxazole

C12H19NO — CID 123960245

IUPAC6-ethyl-2-methyl-4,5,6,7,8,9-hexahydrocycloocta[d][1,3]oxazole
SMILESCCC1CCCc2oc(C)nc2CC1
InChIInChI=1S/C12H19NO/c1-3-10-5-4-6-12-11(8-7-10)13-9(2)14-12/h10H,3-8H2,1-2H3
InChIKeyOCNLBQVIMRDBAI-UHFFFAOYSA-N
MW193.29 g/mol
LogP3.28
Rot. Bonds1

About 6-ethyl-2-methyl-4,5,6,7,8,9-hexahydrocycloocta[d][1,3]oxazole

6-ethyl-2-methyl-4,5,6,7,8,9-hexahydrocycloocta[d][1,3]oxazole (PubChem CID 123960245) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 6-ethyl-2-methyl-4,5,6,7,8,9-hexahydrocycloocta[d][1,3]oxazole.

Molecular Properties

Compound Name6-ethyl-2-methyl-4,5,6,7,8,9-hexahydrocycloocta[d][1,3]oxazole
PubChem CID123960245
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name6-ethyl-2-methyl-4,5,6,7,8,9-hexahydrocycloocta[d][1,3]oxazole
SMILESCCC1CCCc2oc(C)nc2CC1
InChIInChI=1S/C12H19NO/c1-3-10-5-4-6-12-11(8-7-10)13-9(2)14-12/h10H,3-8H2,1-2H3
InChIKeyOCNLBQVIMRDBAI-UHFFFAOYSA-N
XLogP3.28
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-methyl-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl)methanamine
CID 82276910
2,6-dimethyl-4,5,6,7-tetrahydro-1,3-benzoxazole
CID 12575563
4-ethylcycloheptan-1-one
CID 15698158
2-(2-methyl-4,5,6,7-tetrahydro-1,3-benzoxazol-4-yl)ethanamine
CID 83875498
1-ethyl-4-methylidenecycloheptane
CID 65087805
6-ethylcyclodecan-1-one
CID 18176981
2-methyl-5,6,7,8-tetrahydro-4H-[1,3]oxazolo[5,4-c]azepine
CID 84649649
chromium;bis(ethylcyclopentane)
CID 91996240
ethylcyclopentane;methane
CID 143390575
tris(ethylcyclopentane);gadolinium
CID 160752471
cyclobutane;cycloheptane;cyclooctane;cyclopentane;ethylcyclohexane
CID 159227929
ethane;bis(ethylcyclopentane)
CID 158911237

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-methyl-4,5,6,7,8,9-hexahydrocycloocta[d][1,3]oxazole?
The IUPAC name of 6-ethyl-2-methyl-4,5,6,7,8,9-hexahydrocycloocta[d][1,3]oxazole (CID 123960245) is 6-ethyl-2-methyl-4,5,6,7,8,9-hexahydrocycloocta[d][1,3]oxazole.
What is the SMILES notation for 6-ethyl-2-methyl-4,5,6,7,8,9-hexahydrocycloocta[d][1,3]oxazole?
The canonical SMILES for 6-ethyl-2-methyl-4,5,6,7,8,9-hexahydrocycloocta[d][1,3]oxazole is CCC1CCCc2oc(C)nc2CC1.
What is the InChIKey of 6-ethyl-2-methyl-4,5,6,7,8,9-hexahydrocycloocta[d][1,3]oxazole?
The InChIKey is OCNLBQVIMRDBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-3-10-5-4-6-12-11(8-7-10)13-9(2)14-12/h10H,3-8H2,1-2H3.
What are the key properties of 6-ethyl-2-methyl-4,5,6,7,8,9-hexahydrocycloocta[d][1,3]oxazole?
6-ethyl-2-methyl-4,5,6,7,8,9-hexahydrocycloocta[d][1,3]oxazole has a molecular weight of 193.29 g/mol, XLogP of 3.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-methyl-4,5,6,7,8,9-hexahydrocycloocta[d][1,3]oxazole is sourced from PubChem (CID 123960245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).