(1R,2R,5R)-5-methyl-2-phosphanylsulfanylcyclohexan-1-ol

C7H15OPS — CID 89469408

IUPAC(1R,2R,5R)-5-methyl-2-phosphanylsulfanylcyclohexan-1-ol
SMILESC[C@@H]1CC[C@@H](SP)[C@H](O)C1
InChIInChI=1S/C7H15OPS/c1-5-2-3-7(10-9)6(8)4-5/h5-8H,2-4,9H2,1H3/t5-,6-,7-/m1/s1
InChIKeyKTKMPPOWNVIEAC-FSDSQADBSA-N
MW178.24 g/mol
LogP2.06
Rot. Bonds1

About (1R,2R,5R)-5-methyl-2-phosphanylsulfanylcyclohexan-1-ol

(1R,2R,5R)-5-methyl-2-phosphanylsulfanylcyclohexan-1-ol (PubChem CID 89469408) has the molecular formula C7H15OPS and a molecular weight of 178.24 g/mol. Its IUPAC name is (1R,2R,5R)-5-methyl-2-phosphanylsulfanylcyclohexan-1-ol.

Molecular Properties

Compound Name(1R,2R,5R)-5-methyl-2-phosphanylsulfanylcyclohexan-1-ol
PubChem CID89469408
Molecular FormulaC7H15OPS
Molecular Weight178.24 g/mol
Exact Mass178.06
IUPAC Name(1R,2R,5R)-5-methyl-2-phosphanylsulfanylcyclohexan-1-ol
SMILESC[C@@H]1CC[C@@H](SP)[C@H](O)C1
InChIInChI=1S/C7H15OPS/c1-5-2-3-7(10-9)6(8)4-5/h5-8H,2-4,9H2,1H3/t5-,6-,7-/m1/s1
InChIKeyKTKMPPOWNVIEAC-FSDSQADBSA-N
XLogP2.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,5R)-5-methyl-2-phosphanylsulfanylcyclohexan-1-ol?
The IUPAC name of (1R,2R,5R)-5-methyl-2-phosphanylsulfanylcyclohexan-1-ol (CID 89469408) is (1R,2R,5R)-5-methyl-2-phosphanylsulfanylcyclohexan-1-ol.
What is the SMILES notation for (1R,2R,5R)-5-methyl-2-phosphanylsulfanylcyclohexan-1-ol?
The canonical SMILES for (1R,2R,5R)-5-methyl-2-phosphanylsulfanylcyclohexan-1-ol is C[C@@H]1CC[C@@H](SP)[C@H](O)C1.
What is the InChIKey of (1R,2R,5R)-5-methyl-2-phosphanylsulfanylcyclohexan-1-ol?
The InChIKey is KTKMPPOWNVIEAC-FSDSQADBSA-N. The full InChI is InChI=1S/C7H15OPS/c1-5-2-3-7(10-9)6(8)4-5/h5-8H,2-4,9H2,1H3/t5-,6-,7-/m1/s1.
What are the key properties of (1R,2R,5R)-5-methyl-2-phosphanylsulfanylcyclohexan-1-ol?
(1R,2R,5R)-5-methyl-2-phosphanylsulfanylcyclohexan-1-ol has a molecular weight of 178.24 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,5R)-5-methyl-2-phosphanylsulfanylcyclohexan-1-ol is sourced from PubChem (CID 89469408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).