3,4,4,7-tetramethyl-5,6,7,8,8a,9-hexahydro-4aH-benzo[f][1,2]benzoxazole

C15H23NO — CID 164668154

IUPAC3,4,4,7-tetramethyl-5,6,7,8,8a,9-hexahydro-4aH-benzo[f][1,2]benzoxazole
SMILESCc1noc2c1C(C)(C)C1CCC(C)CC1C2
InChIInChI=1S/C15H23NO/c1-9-5-6-12-11(7-9)8-13-14(15(12,3)4)10(2)16-17-13/h9,11-12H,5-8H2,1-4H3
InChIKeyOCPMZJHBWVNQCW-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.87
Rot. Bonds

About 3,4,4,7-tetramethyl-5,6,7,8,8a,9-hexahydro-4aH-benzo[f][1,2]benzoxazole

3,4,4,7-tetramethyl-5,6,7,8,8a,9-hexahydro-4aH-benzo[f][1,2]benzoxazole (PubChem CID 164668154) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 3,4,4,7-tetramethyl-5,6,7,8,8a,9-hexahydro-4aH-benzo[f][1,2]benzoxazole.

Molecular Properties

Compound Name3,4,4,7-tetramethyl-5,6,7,8,8a,9-hexahydro-4aH-benzo[f][1,2]benzoxazole
PubChem CID164668154
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name3,4,4,7-tetramethyl-5,6,7,8,8a,9-hexahydro-4aH-benzo[f][1,2]benzoxazole
SMILESCc1noc2c1C(C)(C)C1CCC(C)CC1C2
InChIInChI=1S/C15H23NO/c1-9-5-6-12-11(7-9)8-13-14(15(12,3)4)10(2)16-17-13/h9,11-12H,5-8H2,1-4H3
InChIKeyOCPMZJHBWVNQCW-UHFFFAOYSA-N
XLogP3.87
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 ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,4,4,7-tetramethyl-5,6,7,8,8a,9-hexahydro-4aH-benzo[f][1,2]benzoxazole with MolForge

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Related Compounds

3-Propyl-6,7-dihydro-5H-benzo[d]isoxazol-4-one oxime
CID 5407249
(1R,2S,5S,9S,10R)-1,5-dimethyl-14-oxa-13-azapentacyclo[10.6.1.02,10.05,9.015,19]nonadeca-12,15(19)-diene-6,16-dione
CID 127026654
6,6-Dimethyl-3-propyl-5,7-dihydro-1,2-benzoxazol-4-one
CID 749816
3,6,6-Trimethyl-5,6,7-trihydrobenzo[2,1-d]isoxazol-4-one
CID 939993
3-Methyl-4,5,6,7-tetrahydro-1,2-benzoxazole
CID 304261
(5,5-Dimethyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanamine
CID 80461767
3-(Chloromethyl)-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole
CID 80463255
3-(Chloromethyl)-5,5-dimethyl-4,5,6,7-tetrahydro-1,2-benzoxazole
CID 80463258
N-(3-pentadecyl-6,7-dihydro-5H-1,2-benzoxazol-4-ylidene)hydroxylamine
CID 2728884
(4Z)-N-hydroxy-6,6-dimethyl-3-propyl-6,7-dihydro-1,2-benzoxazol-4(5H)-imine
CID 5407245
[(Z)-(3,6,6-trimethyl-5,7-dihydro-1,2-benzoxazol-4-ylidene)amino] acetate
CID 5407253
4-(Hydroxyimino)-3,6,6-trimethyl-5,6,7-trihydrobenzo[2,1-d]isoxazole
CID 6111792

Frequently Asked Questions

What is the IUPAC name of 3,4,4,7-tetramethyl-5,6,7,8,8a,9-hexahydro-4aH-benzo[f][1,2]benzoxazole?
The IUPAC name of 3,4,4,7-tetramethyl-5,6,7,8,8a,9-hexahydro-4aH-benzo[f][1,2]benzoxazole (CID 164668154) is 3,4,4,7-tetramethyl-5,6,7,8,8a,9-hexahydro-4aH-benzo[f][1,2]benzoxazole.
What is the SMILES notation for 3,4,4,7-tetramethyl-5,6,7,8,8a,9-hexahydro-4aH-benzo[f][1,2]benzoxazole?
The canonical SMILES for 3,4,4,7-tetramethyl-5,6,7,8,8a,9-hexahydro-4aH-benzo[f][1,2]benzoxazole is Cc1noc2c1C(C)(C)C1CCC(C)CC1C2.
What is the InChIKey of 3,4,4,7-tetramethyl-5,6,7,8,8a,9-hexahydro-4aH-benzo[f][1,2]benzoxazole?
The InChIKey is OCPMZJHBWVNQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-9-5-6-12-11(7-9)8-13-14(15(12,3)4)10(2)16-17-13/h9,11-12H,5-8H2,1-4H3.
What are the key properties of 3,4,4,7-tetramethyl-5,6,7,8,8a,9-hexahydro-4aH-benzo[f][1,2]benzoxazole?
3,4,4,7-tetramethyl-5,6,7,8,8a,9-hexahydro-4aH-benzo[f][1,2]benzoxazole has a molecular weight of 233.35 g/mol, XLogP of 3.87, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4,7-tetramethyl-5,6,7,8,8a,9-hexahydro-4aH-benzo[f][1,2]benzoxazole is sourced from PubChem (CID 164668154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).