(2R,6S)-6-methyl-2-[(E)-prop-1-enyl]-5,6-dihydro-1,2λ5-oxaphosphinine 2-oxide

C8H13O2P — CID 11535640

IUPAC(2R,6S)-6-methyl-2-[(E)-prop-1-enyl]-5,6-dihydro-1,2λ5-oxaphosphinine 2-oxide
SMILESC/C=C/[P@]1(=O)C=CC[C@H](C)O1
InChIInChI=1S/C8H13O2P/c1-3-6-11(9)7-4-5-8(2)10-11/h3-4,6-8H,5H2,1-2H3/b6-3+/t8-,11+/m0/s1
InChIKeyCOJVGPIWEYLUAB-PJTSRNQLSA-N
MW172.16 g/mol
LogP3.12
Rot. Bonds1

About (2R,6S)-6-methyl-2-[(E)-prop-1-enyl]-5,6-dihydro-1,2λ5-oxaphosphinine 2-oxide

(2R,6S)-6-methyl-2-[(E)-prop-1-enyl]-5,6-dihydro-1,2λ5-oxaphosphinine 2-oxide (PubChem CID 11535640) has the molecular formula C8H13O2P and a molecular weight of 172.16 g/mol. Its IUPAC name is (2R,6S)-6-methyl-2-[(E)-prop-1-enyl]-5,6-dihydro-1,2λ5-oxaphosphinine 2-oxide.

Molecular Properties

Compound Name(2R,6S)-6-methyl-2-[(E)-prop-1-enyl]-5,6-dihydro-1,2λ5-oxaphosphinine 2-oxide
PubChem CID11535640
Molecular FormulaC8H13O2P
Molecular Weight172.16 g/mol
Exact Mass172.07
IUPAC Name(2R,6S)-6-methyl-2-[(E)-prop-1-enyl]-5,6-dihydro-1,2λ5-oxaphosphinine 2-oxide
SMILESC/C=C/[P@]1(=O)C=CC[C@H](C)O1
InChIInChI=1S/C8H13O2P/c1-3-6-11(9)7-4-5-8(2)10-11/h3-4,6-8H,5H2,1-2H3/b6-3+/t8-,11+/m0/s1
InChIKeyCOJVGPIWEYLUAB-PJTSRNQLSA-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'}

Analyze (2R,6S)-6-methyl-2-[(E)-prop-1-enyl]-5,6-dihydro-1,2λ5-oxaphosphinine 2-oxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Phospholene, 1-isopropoxy-, 1-oxide
CID 3039706
4-bis[(E)-prop-1-enyl]phosphoryloxypent-1-ene
CID 11586551
4-Bis(prop-1-en-2-yl)phosphoryloxypent-1-ene
CID 11600958
4-Bis(ethenyl)phosphoryloxypent-1-ene
CID 11636947
(2R,6S)-2-ethenyl-6-methyl-5,6-dihydro-1,2lambda5-oxaphosphinine 2-oxide
CID 11643969
4-bis[(Z)-prop-1-enyl]phosphoryloxypent-1-ene
CID 11651422
(E)-3-methyl-1-[methyl(propan-2-yloxy)phosphoryl]but-1-ene
CID 12062970
(E)-1-[methyl(propan-2-yloxy)phosphoryl]but-1-ene
CID 12062971
Isopropyl ethylvinylphosphinate
CID 129687018
5-Butylselanyl-5-di(propan-2-yloxy)phosphorylpent-1-ene
CID 134919665
5-Di(propan-2-yloxy)phosphoryl-5-methylselanylpent-1-ene
CID 134919803
(2R,6S)-2-ethenyl-3,6-dimethyl-5,6-dihydro-1,2lambda5-oxaphosphinine 2-oxide
CID 135059855

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-6-methyl-2-[(E)-prop-1-enyl]-5,6-dihydro-1,2λ5-oxaphosphinine 2-oxide?
The IUPAC name of (2R,6S)-6-methyl-2-[(E)-prop-1-enyl]-5,6-dihydro-1,2λ5-oxaphosphinine 2-oxide (CID 11535640) is (2R,6S)-6-methyl-2-[(E)-prop-1-enyl]-5,6-dihydro-1,2λ5-oxaphosphinine 2-oxide.
What is the SMILES notation for (2R,6S)-6-methyl-2-[(E)-prop-1-enyl]-5,6-dihydro-1,2λ5-oxaphosphinine 2-oxide?
The canonical SMILES for (2R,6S)-6-methyl-2-[(E)-prop-1-enyl]-5,6-dihydro-1,2λ5-oxaphosphinine 2-oxide is C/C=C/[P@]1(=O)C=CC[C@H](C)O1.
What is the InChIKey of (2R,6S)-6-methyl-2-[(E)-prop-1-enyl]-5,6-dihydro-1,2λ5-oxaphosphinine 2-oxide?
The InChIKey is COJVGPIWEYLUAB-PJTSRNQLSA-N. The full InChI is InChI=1S/C8H13O2P/c1-3-6-11(9)7-4-5-8(2)10-11/h3-4,6-8H,5H2,1-2H3/b6-3+/t8-,11+/m0/s1.
What are the key properties of (2R,6S)-6-methyl-2-[(E)-prop-1-enyl]-5,6-dihydro-1,2λ5-oxaphosphinine 2-oxide?
(2R,6S)-6-methyl-2-[(E)-prop-1-enyl]-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)-6-methyl-2-[(E)-prop-1-enyl]-5,6-dihydro-1,2λ5-oxaphosphinine 2-oxide is sourced from PubChem (CID 11535640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).