3a,5,6,7a-tetramethyl-2,3,4,5,6,7-hexahydro-1H-isoindol-1-ol

C12H23NO — CID 66665985

IUPAC3a,5,6,7a-tetramethyl-2,3,4,5,6,7-hexahydro-1H-isoindol-1-ol
SMILESCC1CC2(C)CNC(O)C2(C)CC1C
InChIInChI=1S/C12H23NO/c1-8-5-11(3)7-13-10(14)12(11,4)6-9(8)2/h8-10,13-14H,5-7H2,1-4H3
InChIKeyJCOHAUOAOBLTSD-UHFFFAOYSA-N
MW197.32 g/mol
LogP1.99
Rot. Bonds

About 3a,5,6,7a-tetramethyl-2,3,4,5,6,7-hexahydro-1H-isoindol-1-ol

3a,5,6,7a-tetramethyl-2,3,4,5,6,7-hexahydro-1H-isoindol-1-ol (PubChem CID 66665985) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 3a,5,6,7a-tetramethyl-2,3,4,5,6,7-hexahydro-1H-isoindol-1-ol.

Molecular Properties

Compound Name3a,5,6,7a-tetramethyl-2,3,4,5,6,7-hexahydro-1H-isoindol-1-ol
PubChem CID66665985
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name3a,5,6,7a-tetramethyl-2,3,4,5,6,7-hexahydro-1H-isoindol-1-ol
SMILESCC1CC2(C)CNC(O)C2(C)CC1C
InChIInChI=1S/C12H23NO/c1-8-5-11(3)7-13-10(14)12(11,4)6-9(8)2/h8-10,13-14H,5-7H2,1-4H3
InChIKeyJCOHAUOAOBLTSD-UHFFFAOYSA-N
XLogP1.99
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3a,5,6,7a-tetramethyl-2,3,4,5,6,7-hexahydro-1H-isoindol-1-ol?
The IUPAC name of 3a,5,6,7a-tetramethyl-2,3,4,5,6,7-hexahydro-1H-isoindol-1-ol (CID 66665985) is 3a,5,6,7a-tetramethyl-2,3,4,5,6,7-hexahydro-1H-isoindol-1-ol.
What is the SMILES notation for 3a,5,6,7a-tetramethyl-2,3,4,5,6,7-hexahydro-1H-isoindol-1-ol?
The canonical SMILES for 3a,5,6,7a-tetramethyl-2,3,4,5,6,7-hexahydro-1H-isoindol-1-ol is CC1CC2(C)CNC(O)C2(C)CC1C.
What is the InChIKey of 3a,5,6,7a-tetramethyl-2,3,4,5,6,7-hexahydro-1H-isoindol-1-ol?
The InChIKey is JCOHAUOAOBLTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-8-5-11(3)7-13-10(14)12(11,4)6-9(8)2/h8-10,13-14H,5-7H2,1-4H3.
What are the key properties of 3a,5,6,7a-tetramethyl-2,3,4,5,6,7-hexahydro-1H-isoindol-1-ol?
3a,5,6,7a-tetramethyl-2,3,4,5,6,7-hexahydro-1H-isoindol-1-ol has a molecular weight of 197.32 g/mol, XLogP of 1.99, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3a,5,6,7a-tetramethyl-2,3,4,5,6,7-hexahydro-1H-isoindol-1-ol is sourced from PubChem (CID 66665985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).