(2R,6S)-2-ethenyl-3,6-dimethyl-5,6-dihydro-1,2λ5-oxaphosphinine 2-oxide

C8H13O2P — CID 135059855

IUPAC(2R,6S)-2-ethenyl-3,6-dimethyl-5,6-dihydro-1,2λ5-oxaphosphinine 2-oxide
SMILESC=C[P@@]1(=O)O[C@@H](C)CC=C1C
InChIInChI=1S/C8H13O2P/c1-4-11(9)8(3)6-5-7(2)10-11/h4,6-7H,1,5H2,2-3H3/t7-,11+/m0/s1
InChIKeyJLFNQBRKZPPTTN-WRWORJQWSA-N
MW172.16 g/mol
LogP3.12
Rot. Bonds1

About (2R,6S)-2-ethenyl-3,6-dimethyl-5,6-dihydro-1,2λ5-oxaphosphinine 2-oxide

(2R,6S)-2-ethenyl-3,6-dimethyl-5,6-dihydro-1,2λ5-oxaphosphinine 2-oxide (PubChem CID 135059855) has the molecular formula C8H13O2P and a molecular weight of 172.16 g/mol. Its IUPAC name is (2R,6S)-2-ethenyl-3,6-dimethyl-5,6-dihydro-1,2λ5-oxaphosphinine 2-oxide.

Molecular Properties

Compound Name(2R,6S)-2-ethenyl-3,6-dimethyl-5,6-dihydro-1,2λ5-oxaphosphinine 2-oxide
PubChem CID135059855
Molecular FormulaC8H13O2P
Molecular Weight172.16 g/mol
Exact Mass172.07
IUPAC Name(2R,6S)-2-ethenyl-3,6-dimethyl-5,6-dihydro-1,2λ5-oxaphosphinine 2-oxide
SMILESC=C[P@@]1(=O)O[C@@H](C)CC=C1C
InChIInChI=1S/C8H13O2P/c1-4-11(9)8(3)6-5-7(2)10-11/h4,6-7H,1,5H2,2-3H3/t7-,11+/m0/s1
InChIKeyJLFNQBRKZPPTTN-WRWORJQWSA-N
XLogP3.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.16
LogP ≤ 53.12
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-3,6-dimethyl-5,6-dihydro-1,2λ5-oxaphosphinine 2-oxide?
The IUPAC name of (2R,6S)-2-ethenyl-3,6-dimethyl-5,6-dihydro-1,2λ5-oxaphosphinine 2-oxide (CID 135059855) is (2R,6S)-2-ethenyl-3,6-dimethyl-5,6-dihydro-1,2λ5-oxaphosphinine 2-oxide.
What is the SMILES notation for (2R,6S)-2-ethenyl-3,6-dimethyl-5,6-dihydro-1,2λ5-oxaphosphinine 2-oxide?
The canonical SMILES for (2R,6S)-2-ethenyl-3,6-dimethyl-5,6-dihydro-1,2λ5-oxaphosphinine 2-oxide is C=C[P@@]1(=O)O[C@@H](C)CC=C1C.
What is the InChIKey of (2R,6S)-2-ethenyl-3,6-dimethyl-5,6-dihydro-1,2λ5-oxaphosphinine 2-oxide?
The InChIKey is JLFNQBRKZPPTTN-WRWORJQWSA-N. The full InChI is InChI=1S/C8H13O2P/c1-4-11(9)8(3)6-5-7(2)10-11/h4,6-7H,1,5H2,2-3H3/t7-,11+/m0/s1.
What are the key properties of (2R,6S)-2-ethenyl-3,6-dimethyl-5,6-dihydro-1,2λ5-oxaphosphinine 2-oxide?
(2R,6S)-2-ethenyl-3,6-dimethyl-5,6-dihydro-1,2λ5-oxaphosphinine 2-oxide has a molecular weight of 172.16 g/mol, XLogP of 3.12, 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-3,6-dimethyl-5,6-dihydro-1,2λ5-oxaphosphinine 2-oxide is sourced from PubChem (CID 135059855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).