(1S,6S,8S)-8-ethenyl-2,9,10-trioxa-1λ5-phosphabicyclo[4.3.1]dec-4-ene 1-oxide

C8H11O4P — CID 139039690

IUPAC(1S,6S,8S)-8-ethenyl-2,9,10-trioxa-1λ5-phosphabicyclo[4.3.1]dec-4-ene 1-oxide
SMILESC=C[C@@H]1C[C@H]2C=CCO[P@@](=O)(O1)O2
InChIInChI=1S/C8H11O4P/c1-2-7-6-8-4-3-5-10-13(9,11-7)12-8/h2-4,7-8H,1,5-6H2/t7-,8-,13+/m1/s1
InChIKeyHEFHKSYPUAMSGC-RBDZCENOSA-N
MW202.15 g/mol
LogP2.04
Rot. Bonds1

About (1S,6S,8S)-8-ethenyl-2,9,10-trioxa-1λ5-phosphabicyclo[4.3.1]dec-4-ene 1-oxide

(1S,6S,8S)-8-ethenyl-2,9,10-trioxa-1λ5-phosphabicyclo[4.3.1]dec-4-ene 1-oxide (PubChem CID 139039690) has the molecular formula C8H11O4P and a molecular weight of 202.15 g/mol. Its IUPAC name is (1S,6S,8S)-8-ethenyl-2,9,10-trioxa-1λ5-phosphabicyclo[4.3.1]dec-4-ene 1-oxide.

Molecular Properties

Compound Name(1S,6S,8S)-8-ethenyl-2,9,10-trioxa-1λ5-phosphabicyclo[4.3.1]dec-4-ene 1-oxide
PubChem CID139039690
Molecular FormulaC8H11O4P
Molecular Weight202.15 g/mol
Exact Mass202.04
IUPAC Name(1S,6S,8S)-8-ethenyl-2,9,10-trioxa-1λ5-phosphabicyclo[4.3.1]dec-4-ene 1-oxide
SMILESC=C[C@@H]1C[C@H]2C=CCO[P@@](=O)(O1)O2
InChIInChI=1S/C8H11O4P/c1-2-7-6-8-4-3-5-10-13(9,11-7)12-8/h2-4,7-8H,1,5-6H2/t7-,8-,13+/m1/s1
InChIKeyHEFHKSYPUAMSGC-RBDZCENOSA-N
XLogP2.04
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.15
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 (1S,6S,8S)-8-ethenyl-2,9,10-trioxa-1λ5-phosphabicyclo[4.3.1]dec-4-ene 1-oxide?
The IUPAC name of (1S,6S,8S)-8-ethenyl-2,9,10-trioxa-1λ5-phosphabicyclo[4.3.1]dec-4-ene 1-oxide (CID 139039690) is (1S,6S,8S)-8-ethenyl-2,9,10-trioxa-1λ5-phosphabicyclo[4.3.1]dec-4-ene 1-oxide.
What is the SMILES notation for (1S,6S,8S)-8-ethenyl-2,9,10-trioxa-1λ5-phosphabicyclo[4.3.1]dec-4-ene 1-oxide?
The canonical SMILES for (1S,6S,8S)-8-ethenyl-2,9,10-trioxa-1λ5-phosphabicyclo[4.3.1]dec-4-ene 1-oxide is C=C[C@@H]1C[C@H]2C=CCO[P@@](=O)(O1)O2.
What is the InChIKey of (1S,6S,8S)-8-ethenyl-2,9,10-trioxa-1λ5-phosphabicyclo[4.3.1]dec-4-ene 1-oxide?
The InChIKey is HEFHKSYPUAMSGC-RBDZCENOSA-N. The full InChI is InChI=1S/C8H11O4P/c1-2-7-6-8-4-3-5-10-13(9,11-7)12-8/h2-4,7-8H,1,5-6H2/t7-,8-,13+/m1/s1.
What are the key properties of (1S,6S,8S)-8-ethenyl-2,9,10-trioxa-1λ5-phosphabicyclo[4.3.1]dec-4-ene 1-oxide?
(1S,6S,8S)-8-ethenyl-2,9,10-trioxa-1λ5-phosphabicyclo[4.3.1]dec-4-ene 1-oxide has a molecular weight of 202.15 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6S,8S)-8-ethenyl-2,9,10-trioxa-1λ5-phosphabicyclo[4.3.1]dec-4-ene 1-oxide is sourced from PubChem (CID 139039690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).