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

C8H13O4P — CID 11390084

IUPAC(6S,8R)-8-ethyl-2,9,10-trioxa-1λ5-phosphabicyclo[4.3.1]dec-4-ene 1-oxide
SMILESCC[C@@H]1C[C@H]2C=CCOP(=O)(O1)O2
InChIInChI=1S/C8H13O4P/c1-2-7-6-8-4-3-5-10-13(9,11-7)12-8/h3-4,7-8H,2,5-6H2,1H3/t7-,8-,13?/m1/s1
InChIKeyQAOMVSVKFVOFCU-QIHQSXPSSA-N
MW204.16 g/mol
LogP2.27
Rot. Bonds1

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

(6S,8R)-8-ethyl-2,9,10-trioxa-1λ5-phosphabicyclo[4.3.1]dec-4-ene 1-oxide (PubChem CID 11390084) has the molecular formula C8H13O4P and a molecular weight of 204.16 g/mol. Its IUPAC name is (6S,8R)-8-ethyl-2,9,10-trioxa-1λ5-phosphabicyclo[4.3.1]dec-4-ene 1-oxide.

Molecular Properties

Compound Name(6S,8R)-8-ethyl-2,9,10-trioxa-1λ5-phosphabicyclo[4.3.1]dec-4-ene 1-oxide
PubChem CID11390084
Molecular FormulaC8H13O4P
Molecular Weight204.16 g/mol
Exact Mass204.06
IUPAC Name(6S,8R)-8-ethyl-2,9,10-trioxa-1λ5-phosphabicyclo[4.3.1]dec-4-ene 1-oxide
SMILESCC[C@@H]1C[C@H]2C=CCOP(=O)(O1)O2
InChIInChI=1S/C8H13O4P/c1-2-7-6-8-4-3-5-10-13(9,11-7)12-8/h3-4,7-8H,2,5-6H2,1H3/t7-,8-,13?/m1/s1
InChIKeyQAOMVSVKFVOFCU-QIHQSXPSSA-N
XLogP2.27
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.16
LogP ≤ 52.27
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 (6S,8R)-8-ethyl-2,9,10-trioxa-1λ5-phosphabicyclo[4.3.1]dec-4-ene 1-oxide?
The IUPAC name of (6S,8R)-8-ethyl-2,9,10-trioxa-1λ5-phosphabicyclo[4.3.1]dec-4-ene 1-oxide (CID 11390084) is (6S,8R)-8-ethyl-2,9,10-trioxa-1λ5-phosphabicyclo[4.3.1]dec-4-ene 1-oxide.
What is the SMILES notation for (6S,8R)-8-ethyl-2,9,10-trioxa-1λ5-phosphabicyclo[4.3.1]dec-4-ene 1-oxide?
The canonical SMILES for (6S,8R)-8-ethyl-2,9,10-trioxa-1λ5-phosphabicyclo[4.3.1]dec-4-ene 1-oxide is CC[C@@H]1C[C@H]2C=CCOP(=O)(O1)O2.
What is the InChIKey of (6S,8R)-8-ethyl-2,9,10-trioxa-1λ5-phosphabicyclo[4.3.1]dec-4-ene 1-oxide?
The InChIKey is QAOMVSVKFVOFCU-QIHQSXPSSA-N. The full InChI is InChI=1S/C8H13O4P/c1-2-7-6-8-4-3-5-10-13(9,11-7)12-8/h3-4,7-8H,2,5-6H2,1H3/t7-,8-,13?/m1/s1.
What are the key properties of (6S,8R)-8-ethyl-2,9,10-trioxa-1λ5-phosphabicyclo[4.3.1]dec-4-ene 1-oxide?
(6S,8R)-8-ethyl-2,9,10-trioxa-1λ5-phosphabicyclo[4.3.1]dec-4-ene 1-oxide has a molecular weight of 204.16 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,8R)-8-ethyl-2,9,10-trioxa-1λ5-phosphabicyclo[4.3.1]dec-4-ene 1-oxide is sourced from PubChem (CID 11390084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).