(2R,6S)-2-ethenyl-6-methyl-5,6-dihydro-1,2λ5-oxaphosphinine 2-oxide

C7H11O2P — CID 11643969

IUPAC(2R,6S)-2-ethenyl-6-methyl-5,6-dihydro-1,2λ5-oxaphosphinine 2-oxide
SMILESC=C[P@]1(=O)C=CC[C@H](C)O1
InChIInChI=1S/C7H11O2P/c1-3-10(8)6-4-5-7(2)9-10/h3-4,6-7H,1,5H2,2H3/t7-,10+/m0/s1
InChIKeyKXTLAUVFOWARJL-OIBJUYFYSA-N
MW158.14 g/mol
LogP2.73
Rot. Bonds1

About (2R,6S)-2-ethenyl-6-methyl-5,6-dihydro-1,2λ5-oxaphosphinine 2-oxide

(2R,6S)-2-ethenyl-6-methyl-5,6-dihydro-1,2λ5-oxaphosphinine 2-oxide (PubChem CID 11643969) has the molecular formula C7H11O2P and a molecular weight of 158.14 g/mol. Its IUPAC name is (2R,6S)-2-ethenyl-6-methyl-5,6-dihydro-1,2λ5-oxaphosphinine 2-oxide.

Molecular Properties

Compound Name(2R,6S)-2-ethenyl-6-methyl-5,6-dihydro-1,2λ5-oxaphosphinine 2-oxide
PubChem CID11643969
Molecular FormulaC7H11O2P
Molecular Weight158.14 g/mol
Exact Mass158.05
IUPAC Name(2R,6S)-2-ethenyl-6-methyl-5,6-dihydro-1,2λ5-oxaphosphinine 2-oxide
SMILESC=C[P@]1(=O)C=CC[C@H](C)O1
InChIInChI=1S/C7H11O2P/c1-3-10(8)6-4-5-7(2)9-10/h3-4,6-7H,1,5H2,2H3/t7-,10+/m0/s1
InChIKeyKXTLAUVFOWARJL-OIBJUYFYSA-N
XLogP2.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.14
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,6S)-2-ethenyl-6-methyl-5,6-dihydro-1,2λ5-oxaphosphinine 2-oxide?
The IUPAC name of (2R,6S)-2-ethenyl-6-methyl-5,6-dihydro-1,2λ5-oxaphosphinine 2-oxide (CID 11643969) is (2R,6S)-2-ethenyl-6-methyl-5,6-dihydro-1,2λ5-oxaphosphinine 2-oxide.
What is the SMILES notation for (2R,6S)-2-ethenyl-6-methyl-5,6-dihydro-1,2λ5-oxaphosphinine 2-oxide?
The canonical SMILES for (2R,6S)-2-ethenyl-6-methyl-5,6-dihydro-1,2λ5-oxaphosphinine 2-oxide is C=C[P@]1(=O)C=CC[C@H](C)O1.
What is the InChIKey of (2R,6S)-2-ethenyl-6-methyl-5,6-dihydro-1,2λ5-oxaphosphinine 2-oxide?
The InChIKey is KXTLAUVFOWARJL-OIBJUYFYSA-N. The full InChI is InChI=1S/C7H11O2P/c1-3-10(8)6-4-5-7(2)9-10/h3-4,6-7H,1,5H2,2H3/t7-,10+/m0/s1.
What are the key properties of (2R,6S)-2-ethenyl-6-methyl-5,6-dihydro-1,2λ5-oxaphosphinine 2-oxide?
(2R,6S)-2-ethenyl-6-methyl-5,6-dihydro-1,2λ5-oxaphosphinine 2-oxide has a molecular weight of 158.14 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-2-ethenyl-6-methyl-5,6-dihydro-1,2λ5-oxaphosphinine 2-oxide is sourced from PubChem (CID 11643969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).