ethane;2-phosphanyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol

C10H22NOP — CID 91116481

IUPACethane;2-phosphanyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
SMILESCC.OC1CCC2CN(P)CC2C1
InChIInChI=1S/C8H16NOP.C2H6/c10-8-2-1-6-4-9(11)5-7(6)3-8;1-2/h6-8,10H,1-5,11H2;1-2H3
InChIKeyJAQIILRITSIEHG-UHFFFAOYSA-N
MW203.27 g/mol
LogP1.90
Rot. Bonds

About ethane;2-phosphanyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol

ethane;2-phosphanyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol (PubChem CID 91116481) has the molecular formula C10H22NOP and a molecular weight of 203.27 g/mol. Its IUPAC name is ethane;2-phosphanyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol.

Molecular Properties

Compound Nameethane;2-phosphanyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
PubChem CID91116481
Molecular FormulaC10H22NOP
Molecular Weight203.27 g/mol
Exact Mass203.14
IUPAC Nameethane;2-phosphanyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
SMILESCC.OC1CCC2CN(P)CC2C1
InChIInChI=1S/C8H16NOP.C2H6/c10-8-2-1-6-4-9(11)5-7(6)3-8;1-2/h6-8,10H,1-5,11H2;1-2H3
InChIKeyJAQIILRITSIEHG-UHFFFAOYSA-N
XLogP1.90
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze ethane;2-phosphanyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol with MolForge

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Launch Full Analysis

Related Compounds

Octahydro-1H-isoindol-5-OL
CID 53408677
5-Methoxy-2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole
CID 57672091
(3aS,7aR)-5-methoxy-2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole
CID 57979735
2-Phosphanyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
CID 58885309
octahydro-1H-isoindol-5-ol hydrochloride
CID 74890071
(3aR,7aS)-rel-Octahydro-1H-isoindol-5-ol
CID 118705044
(3aR,7aS)-5-methoxy-2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole
CID 134400034
(5S,6R,7aR)-6-methoxy-2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
CID 134400255
(3aS,5S,6R,7aR)-6-methoxy-2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
CID 134400259
(3aR,5S,7aS)-5-methoxy-2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole
CID 134400264
(5S,7aS)-5-methoxy-2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole
CID 134400308
(3AR,7aS)-octahydro-1H-isoindol-5-ol hydrochloride
CID 137705977

Frequently Asked Questions

What is the IUPAC name of ethane;2-phosphanyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol?
The IUPAC name of ethane;2-phosphanyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol (CID 91116481) is ethane;2-phosphanyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol.
What is the SMILES notation for ethane;2-phosphanyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol?
The canonical SMILES for ethane;2-phosphanyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol is CC.OC1CCC2CN(P)CC2C1.
What is the InChIKey of ethane;2-phosphanyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol?
The InChIKey is JAQIILRITSIEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16NOP.C2H6/c10-8-2-1-6-4-9(11)5-7(6)3-8;1-2/h6-8,10H,1-5,11H2;1-2H3.
What are the key properties of ethane;2-phosphanyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol?
ethane;2-phosphanyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol has a molecular weight of 203.27 g/mol, XLogP of 1.90, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-phosphanyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol is sourced from PubChem (CID 91116481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).