(1'R,4'R)-2-hydroxyspiro[1,3,2λ5-dioxaphosphinane-5,5'-bicyclo[2.2.1]hept-2-ene] 2-oxide

C9H13O4P — CID 97046817

IUPAC(1'R,4'R)-2-hydroxyspiro[1,3,2λ5-dioxaphosphinane-5,5'-bicyclo[2.2.1]hept-2-ene] 2-oxide
SMILESO=P1(O)OCC2(CO1)C[C@@H]1C=C[C@H]2C1
InChIInChI=1S/C9H13O4P/c10-14(11)12-5-9(6-13-14)4-7-1-2-8(9)3-7/h1-2,7-8H,3-6H2,(H,10,11)/t7-,8+/m1/s1
InChIKeyKFMPMTRRWRSWAY-SFYZADRCSA-N
MW216.17 g/mol
LogP1.72
Rot. Bonds

About (1'R,4'R)-2-hydroxyspiro[1,3,2λ5-dioxaphosphinane-5,5'-bicyclo[2.2.1]hept-2-ene] 2-oxide

(1'R,4'R)-2-hydroxyspiro[1,3,2λ5-dioxaphosphinane-5,5'-bicyclo[2.2.1]hept-2-ene] 2-oxide (PubChem CID 97046817) has the molecular formula C9H13O4P and a molecular weight of 216.17 g/mol. Its IUPAC name is (1'R,4'R)-2-hydroxyspiro[1,3,2λ5-dioxaphosphinane-5,5'-bicyclo[2.2.1]hept-2-ene] 2-oxide.

Molecular Properties

Compound Name(1'R,4'R)-2-hydroxyspiro[1,3,2λ5-dioxaphosphinane-5,5'-bicyclo[2.2.1]hept-2-ene] 2-oxide
PubChem CID97046817
Molecular FormulaC9H13O4P
Molecular Weight216.17 g/mol
Exact Mass216.06
IUPAC Name(1'R,4'R)-2-hydroxyspiro[1,3,2λ5-dioxaphosphinane-5,5'-bicyclo[2.2.1]hept-2-ene] 2-oxide
SMILESO=P1(O)OCC2(CO1)C[C@@H]1C=C[C@H]2C1
InChIInChI=1S/C9H13O4P/c10-14(11)12-5-9(6-13-14)4-7-1-2-8(9)3-7/h1-2,7-8H,3-6H2,(H,10,11)/t7-,8+/m1/s1
InChIKeyKFMPMTRRWRSWAY-SFYZADRCSA-N
XLogP1.72
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.17
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1'R,4'R)-2-hydroxyspiro[1,3,2λ5-dioxaphosphinane-5,5'-bicyclo[2.2.1]hept-2-ene] 2-oxide?
The IUPAC name of (1'R,4'R)-2-hydroxyspiro[1,3,2λ5-dioxaphosphinane-5,5'-bicyclo[2.2.1]hept-2-ene] 2-oxide (CID 97046817) is (1'R,4'R)-2-hydroxyspiro[1,3,2λ5-dioxaphosphinane-5,5'-bicyclo[2.2.1]hept-2-ene] 2-oxide.
What is the SMILES notation for (1'R,4'R)-2-hydroxyspiro[1,3,2λ5-dioxaphosphinane-5,5'-bicyclo[2.2.1]hept-2-ene] 2-oxide?
The canonical SMILES for (1'R,4'R)-2-hydroxyspiro[1,3,2λ5-dioxaphosphinane-5,5'-bicyclo[2.2.1]hept-2-ene] 2-oxide is O=P1(O)OCC2(CO1)C[C@@H]1C=C[C@H]2C1.
What is the InChIKey of (1'R,4'R)-2-hydroxyspiro[1,3,2λ5-dioxaphosphinane-5,5'-bicyclo[2.2.1]hept-2-ene] 2-oxide?
The InChIKey is KFMPMTRRWRSWAY-SFYZADRCSA-N. The full InChI is InChI=1S/C9H13O4P/c10-14(11)12-5-9(6-13-14)4-7-1-2-8(9)3-7/h1-2,7-8H,3-6H2,(H,10,11)/t7-,8+/m1/s1.
What are the key properties of (1'R,4'R)-2-hydroxyspiro[1,3,2λ5-dioxaphosphinane-5,5'-bicyclo[2.2.1]hept-2-ene] 2-oxide?
(1'R,4'R)-2-hydroxyspiro[1,3,2λ5-dioxaphosphinane-5,5'-bicyclo[2.2.1]hept-2-ene] 2-oxide has a molecular weight of 216.17 g/mol, XLogP of 1.72, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1'R,4'R)-2-hydroxyspiro[1,3,2λ5-dioxaphosphinane-5,5'-bicyclo[2.2.1]hept-2-ene] 2-oxide is sourced from PubChem (CID 97046817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).