3,3,6-trimethyl-1-propan-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c][1,2]oxazole

C12H23NO — CID 176902625

IUPAC3,3,6-trimethyl-1-propan-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c][1,2]oxazole
SMILESCC1CCC2C1N(C(C)C)OC2(C)C
InChIInChI=1S/C12H23NO/c1-8(2)13-11-9(3)6-7-10(11)12(4,5)14-13/h8-11H,6-7H2,1-5H3
InChIKeyFFLABHHPHOISAS-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.84
Rot. Bonds1

About 3,3,6-trimethyl-1-propan-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c][1,2]oxazole

3,3,6-trimethyl-1-propan-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c][1,2]oxazole (PubChem CID 176902625) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 3,3,6-trimethyl-1-propan-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c][1,2]oxazole.

Molecular Properties

Compound Name3,3,6-trimethyl-1-propan-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c][1,2]oxazole
PubChem CID176902625
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name3,3,6-trimethyl-1-propan-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c][1,2]oxazole
SMILESCC1CCC2C1N(C(C)C)OC2(C)C
InChIInChI=1S/C12H23NO/c1-8(2)13-11-9(3)6-7-10(11)12(4,5)14-13/h8-11H,6-7H2,1-5H3
InChIKeyFFLABHHPHOISAS-UHFFFAOYSA-N
XLogP2.84
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,3,6-trimethyl-1-propan-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c][1,2]oxazole with MolForge

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Related Compounds

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CID 130225153
1,2-dimethylcyclobutane;2-methylpropane
CID 143728444
(3R)-3-methyl-2-propan-2-yloxaziridine
CID 124582025
1-methyl-3-(1-methylcyclobutyl)-2-propan-2-ylcyclopentane
CID 123755207
1,4,7,7a-tetramethyl-1,2,3,3a,4,5,6,7-octahydroindene
CID 90723342
(1R,4R,7R,11S)-3,3,7,11-tetramethyl-2-oxatricyclo[6.3.1.04,12]dodecan-7-ol
CID 162912305
(1R,2S,4aR,5R,8S,8aS)-2,5-dimethyl-8-propan-2-yl-2,3,4,4a,6,7,8,8a-octahydro-1H-naphthalene-1,5-diol
CID 21140311
(1S,5R)-1-methyl-3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane
CID 168795726
2-methyl-1-(2-methylcyclobutyl)propane-1,1-diol
CID 123965421
(1R,2S,5S,6S,7R,8S,10S)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecane-7,10-diol
CID 177439801
(1S,5R,8S,9S,12S,13S)-1,5,9-trimethyl-14,15,16-trioxatetracyclo[10.3.1.04,13.08,13]hexadecane
CID 126550629
(2R)-2-cyclopropyl-2-methyl-4-propan-2-yl-1,4-oxazepane
CID 176594397

Frequently Asked Questions

What is the IUPAC name of 3,3,6-trimethyl-1-propan-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c][1,2]oxazole?
The IUPAC name of 3,3,6-trimethyl-1-propan-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c][1,2]oxazole (CID 176902625) is 3,3,6-trimethyl-1-propan-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c][1,2]oxazole.
What is the SMILES notation for 3,3,6-trimethyl-1-propan-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c][1,2]oxazole?
The canonical SMILES for 3,3,6-trimethyl-1-propan-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c][1,2]oxazole is CC1CCC2C1N(C(C)C)OC2(C)C.
What is the InChIKey of 3,3,6-trimethyl-1-propan-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c][1,2]oxazole?
The InChIKey is FFLABHHPHOISAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-8(2)13-11-9(3)6-7-10(11)12(4,5)14-13/h8-11H,6-7H2,1-5H3.
What are the key properties of 3,3,6-trimethyl-1-propan-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c][1,2]oxazole?
3,3,6-trimethyl-1-propan-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c][1,2]oxazole has a molecular weight of 197.32 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,6-trimethyl-1-propan-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c][1,2]oxazole is sourced from PubChem (CID 176902625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).