2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol

C11H21NO — CID 131059460

IUPAC2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
SMILESCC(C)N1CC2CCC(O)CC2C1
InChIInChI=1S/C11H21NO/c1-8(2)12-6-9-3-4-11(13)5-10(9)7-12/h8-11,13H,3-7H2,1-2H3
InChIKeyIXKOGWZTBWPXPD-UHFFFAOYSA-N
MW183.30 g/mol
LogP1.49
Rot. Bonds1

About 2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol

2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol (PubChem CID 131059460) has the molecular formula C11H21NO and a molecular weight of 183.30 g/mol. Its IUPAC name is 2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol.

Molecular Properties

Compound Name2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
PubChem CID131059460
Molecular FormulaC11H21NO
Molecular Weight183.30 g/mol
Exact Mass183.16
IUPAC Name2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
SMILESCC(C)N1CC2CCC(O)CC2C1
InChIInChI=1S/C11H21NO/c1-8(2)12-6-9-3-4-11(13)5-10(9)7-12/h8-11,13H,3-7H2,1-2H3
InChIKeyIXKOGWZTBWPXPD-UHFFFAOYSA-N
XLogP1.49
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,5S)-3-propan-2-yl-3-azabicyclo[3.2.1]octan-8-ol
CID 98053860
(5R)-2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine
CID 155648643
2-phosphanyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
CID 58885309
2-ethyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
CID 130987265
ethane;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole
CID 159480431
(3aR,6aS)-5-methyl-2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 166871486
5-methyl-2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 129015187
(1R,5R)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-ol
CID 98053872
(3aS,6aR)-2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
CID 153474508
(6S)-3-propan-2-yl-3-azabicyclo[4.2.0]octane
CID 137467561
(1R,5R)-3-propan-2-yl-3-azabicyclo[3.2.1]octan-8-amine
CID 98053858
2-(2-bromoethyl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
CID 131000722

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol?
The IUPAC name of 2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol (CID 131059460) is 2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol.
What is the SMILES notation for 2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol?
The canonical SMILES for 2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol is CC(C)N1CC2CCC(O)CC2C1.
What is the InChIKey of 2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol?
The InChIKey is IXKOGWZTBWPXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-8(2)12-6-9-3-4-11(13)5-10(9)7-12/h8-11,13H,3-7H2,1-2H3.
What are the key properties of 2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol?
2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol has a molecular weight of 183.30 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol is sourced from PubChem (CID 131059460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).