[(3R,5S)-3,5-dimethylcyclohexyl] dihydrogen phosphite

C8H17O3P — CID 165053023

IUPAC[(3R,5S)-3,5-dimethylcyclohexyl] dihydrogen phosphite
SMILESC[C@@H]1CC(OP(O)O)C[C@H](C)C1
InChIInChI=1S/C8H17O3P/c1-6-3-7(2)5-8(4-6)11-12(9)10/h6-10H,3-5H2,1-2H3/t6-,7+,8?
InChIKeyPYVZJVYAOODDHZ-DHBOJHSNSA-N
MW192.19 g/mol
LogP2.04
Rot. Bonds2

About [(3R,5S)-3,5-dimethylcyclohexyl] dihydrogen phosphite

[(3R,5S)-3,5-dimethylcyclohexyl] dihydrogen phosphite (PubChem CID 165053023) has the molecular formula C8H17O3P and a molecular weight of 192.19 g/mol. Its IUPAC name is [(3R,5S)-3,5-dimethylcyclohexyl] dihydrogen phosphite.

Molecular Properties

Compound Name[(3R,5S)-3,5-dimethylcyclohexyl] dihydrogen phosphite
PubChem CID165053023
Molecular FormulaC8H17O3P
Molecular Weight192.19 g/mol
Exact Mass192.09
IUPAC Name[(3R,5S)-3,5-dimethylcyclohexyl] dihydrogen phosphite
SMILESC[C@@H]1CC(OP(O)O)C[C@H](C)C1
InChIInChI=1S/C8H17O3P/c1-6-3-7(2)5-8(4-6)11-12(9)10/h6-10H,3-5H2,1-2H3/t6-,7+,8?
InChIKeyPYVZJVYAOODDHZ-DHBOJHSNSA-N
XLogP2.04
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(3R,5S)-3,5-dimethylcyclohexyl] dihydrogen phosphite?
The IUPAC name of [(3R,5S)-3,5-dimethylcyclohexyl] dihydrogen phosphite (CID 165053023) is [(3R,5S)-3,5-dimethylcyclohexyl] dihydrogen phosphite.
What is the SMILES notation for [(3R,5S)-3,5-dimethylcyclohexyl] dihydrogen phosphite?
The canonical SMILES for [(3R,5S)-3,5-dimethylcyclohexyl] dihydrogen phosphite is C[C@@H]1CC(OP(O)O)C[C@H](C)C1.
What is the InChIKey of [(3R,5S)-3,5-dimethylcyclohexyl] dihydrogen phosphite?
The InChIKey is PYVZJVYAOODDHZ-DHBOJHSNSA-N. The full InChI is InChI=1S/C8H17O3P/c1-6-3-7(2)5-8(4-6)11-12(9)10/h6-10H,3-5H2,1-2H3/t6-,7+,8?.
What are the key properties of [(3R,5S)-3,5-dimethylcyclohexyl] dihydrogen phosphite?
[(3R,5S)-3,5-dimethylcyclohexyl] dihydrogen phosphite has a molecular weight of 192.19 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5S)-3,5-dimethylcyclohexyl] dihydrogen phosphite is sourced from PubChem (CID 165053023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).