[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-dimethoxyphosphane

C9H17O2P — CID 131858461

IUPAC[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-dimethoxyphosphane
SMILESCOP(OC)[C@@H]1C[C@@H]2CC[C@H]1C2
InChIInChI=1S/C9H17O2P/c1-10-12(11-2)9-6-7-3-4-8(9)5-7/h7-9H,3-6H2,1-2H3/t7-,8+,9-/m1/s1
InChIKeyFJMHJMNYRKMULI-HRDYMLBCSA-N
MW188.21 g/mol
LogP2.78
Rot. Bonds3

About [(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-dimethoxyphosphane

[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-dimethoxyphosphane (PubChem CID 131858461) has the molecular formula C9H17O2P and a molecular weight of 188.21 g/mol. Its IUPAC name is [(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-dimethoxyphosphane.

Molecular Properties

Compound Name[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-dimethoxyphosphane
PubChem CID131858461
Molecular FormulaC9H17O2P
Molecular Weight188.21 g/mol
Exact Mass188.10
IUPAC Name[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-dimethoxyphosphane
SMILESCOP(OC)[C@@H]1C[C@@H]2CC[C@H]1C2
InChIInChI=1S/C9H17O2P/c1-10-12(11-2)9-6-7-3-4-8(9)5-7/h7-9H,3-6H2,1-2H3/t7-,8+,9-/m1/s1
InChIKeyFJMHJMNYRKMULI-HRDYMLBCSA-N
XLogP2.78
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.21
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-ditert-butylphosphane
CID 124674169
2-bicyclo[2.2.1]heptanyl-di(propan-2-yl)phosphane
CID 66992611
bis(2-bicyclo[2.2.1]heptanyl)-butylphosphane
CID 54423756
(1S,2S,3R,6S,8S)-2-methoxytricyclo[4.3.1.13,8]undecane
CID 10329939
bis(2-bicyclo[2.2.1]heptanyl)-hexylphosphane
CID 66992372
bis(2-bicyclo[2.2.1]heptanyl)-octylphosphane
CID 66992605
(1R,2R,4S)-2-methylbicyclo[2.2.1]heptane
CID 98050554
[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-diphenylphosphane
CID 102055643
2-bicyclo[2.2.1]heptanyl-dimethoxy-methylsilane
CID 54452110
disodium;5-[bis(2-bicyclo[2.2.1]heptanyl)phosphanyl]cyclohexane-1,3-disulfonate
CID 58174805
ethane;(1R,2R,4R)-2-methylbicyclo[2.2.1]heptane
CID 159184237
(1S,4R,5R,8S)-5,13-dimethyltricyclo[6.5.1.14,10]pentadecane
CID 58625736

Frequently Asked Questions

What is the IUPAC name of [(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-dimethoxyphosphane?
The IUPAC name of [(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-dimethoxyphosphane (CID 131858461) is [(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-dimethoxyphosphane.
What is the SMILES notation for [(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-dimethoxyphosphane?
The canonical SMILES for [(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-dimethoxyphosphane is COP(OC)[C@@H]1C[C@@H]2CC[C@H]1C2.
What is the InChIKey of [(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-dimethoxyphosphane?
The InChIKey is FJMHJMNYRKMULI-HRDYMLBCSA-N. The full InChI is InChI=1S/C9H17O2P/c1-10-12(11-2)9-6-7-3-4-8(9)5-7/h7-9H,3-6H2,1-2H3/t7-,8+,9-/m1/s1.
What are the key properties of [(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-dimethoxyphosphane?
[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-dimethoxyphosphane has a molecular weight of 188.21 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-dimethoxyphosphane is sourced from PubChem (CID 131858461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).