6,6,7,8,8-pentamethyl-5,5a,7,8a-tetrahydro-4H-cyclopenta[g][1,2]benzoxazole

C15H23NO — CID 70926795

IUPAC6,6,7,8,8-pentamethyl-5,5a,7,8a-tetrahydro-4H-cyclopenta[g][1,2]benzoxazole
SMILESCC1C(C)(C)C2CCc3cnoc3C2C1(C)C
InChIInChI=1S/C15H23NO/c1-9-14(2,3)11-7-6-10-8-16-17-13(10)12(11)15(9,4)5/h8-9,11-12H,6-7H2,1-5H3
InChIKeyJIKMSCNSOAZEJW-UHFFFAOYSA-N
MW233.35 g/mol
LogP4.02
Rot. Bonds

About 6,6,7,8,8-pentamethyl-5,5a,7,8a-tetrahydro-4H-cyclopenta[g][1,2]benzoxazole

6,6,7,8,8-pentamethyl-5,5a,7,8a-tetrahydro-4H-cyclopenta[g][1,2]benzoxazole (PubChem CID 70926795) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 6,6,7,8,8-pentamethyl-5,5a,7,8a-tetrahydro-4H-cyclopenta[g][1,2]benzoxazole.

Molecular Properties

Compound Name6,6,7,8,8-pentamethyl-5,5a,7,8a-tetrahydro-4H-cyclopenta[g][1,2]benzoxazole
PubChem CID70926795
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name6,6,7,8,8-pentamethyl-5,5a,7,8a-tetrahydro-4H-cyclopenta[g][1,2]benzoxazole
SMILESCC1C(C)(C)C2CCc3cnoc3C2C1(C)C
InChIInChI=1S/C15H23NO/c1-9-14(2,3)11-7-6-10-8-16-17-13(10)12(11)15(9,4)5/h8-9,11-12H,6-7H2,1-5H3
InChIKeyJIKMSCNSOAZEJW-UHFFFAOYSA-N
XLogP4.02
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,6,7,8,8-pentamethyl-5,5a,7,8a-tetrahydro-4H-cyclopenta[g][1,2]benzoxazole?
The IUPAC name of 6,6,7,8,8-pentamethyl-5,5a,7,8a-tetrahydro-4H-cyclopenta[g][1,2]benzoxazole (CID 70926795) is 6,6,7,8,8-pentamethyl-5,5a,7,8a-tetrahydro-4H-cyclopenta[g][1,2]benzoxazole.
What is the SMILES notation for 6,6,7,8,8-pentamethyl-5,5a,7,8a-tetrahydro-4H-cyclopenta[g][1,2]benzoxazole?
The canonical SMILES for 6,6,7,8,8-pentamethyl-5,5a,7,8a-tetrahydro-4H-cyclopenta[g][1,2]benzoxazole is CC1C(C)(C)C2CCc3cnoc3C2C1(C)C.
What is the InChIKey of 6,6,7,8,8-pentamethyl-5,5a,7,8a-tetrahydro-4H-cyclopenta[g][1,2]benzoxazole?
The InChIKey is JIKMSCNSOAZEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-9-14(2,3)11-7-6-10-8-16-17-13(10)12(11)15(9,4)5/h8-9,11-12H,6-7H2,1-5H3.
What are the key properties of 6,6,7,8,8-pentamethyl-5,5a,7,8a-tetrahydro-4H-cyclopenta[g][1,2]benzoxazole?
6,6,7,8,8-pentamethyl-5,5a,7,8a-tetrahydro-4H-cyclopenta[g][1,2]benzoxazole has a molecular weight of 233.35 g/mol, XLogP of 4.02, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,7,8,8-pentamethyl-5,5a,7,8a-tetrahydro-4H-cyclopenta[g][1,2]benzoxazole is sourced from PubChem (CID 70926795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).