3-ethynyl-1-hydroxy-3,4-dihydro-2H-1λ5-phosphinine 1-oxide

C7H9O2P — CID 89442214

IUPAC3-ethynyl-1-hydroxy-3,4-dihydro-2H-1λ5-phosphinine 1-oxide
SMILESC#CC1CC=CP(=O)(O)C1
InChIInChI=1S/C7H9O2P/c1-2-7-4-3-5-10(8,9)6-7/h1,3,5,7H,4,6H2,(H,8,9)
InChIKeyUKKLKJOWMMTALV-UHFFFAOYSA-N
MW156.12 g/mol
LogP1.42
Rot. Bonds

About 3-ethynyl-1-hydroxy-3,4-dihydro-2H-1λ5-phosphinine 1-oxide

3-ethynyl-1-hydroxy-3,4-dihydro-2H-1λ5-phosphinine 1-oxide (PubChem CID 89442214) has the molecular formula C7H9O2P and a molecular weight of 156.12 g/mol. Its IUPAC name is 3-ethynyl-1-hydroxy-3,4-dihydro-2H-1λ5-phosphinine 1-oxide.

Molecular Properties

Compound Name3-ethynyl-1-hydroxy-3,4-dihydro-2H-1λ5-phosphinine 1-oxide
PubChem CID89442214
Molecular FormulaC7H9O2P
Molecular Weight156.12 g/mol
Exact Mass156.03
IUPAC Name3-ethynyl-1-hydroxy-3,4-dihydro-2H-1λ5-phosphinine 1-oxide
SMILESC#CC1CC=CP(=O)(O)C1
InChIInChI=1S/C7H9O2P/c1-2-7-4-3-5-10(8,9)6-7/h1,3,5,7H,4,6H2,(H,8,9)
InChIKeyUKKLKJOWMMTALV-UHFFFAOYSA-N
XLogP1.42
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.12
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-ethynyl-2-hydroxy-1,2λ5-oxaphosphinane 2-oxide
CID 89445921
4-ethynylcyclohexene
CID 524215
3-ethynyl-1-hydroxy-1-sulfanylidene-1λ5-phospholane
CID 89441927
3-ethynyl-1-methyl-1λ5-phospholane 1-oxide
CID 89445711
4-ethynyl-1-hydroxy-1-sulfanylidene-1λ5-phosphinane
CID 89441929
tris(ethynylcyclohexane);phosphorous acid
CID 175386869
4-ethynyl-2-methylsulfanyl-1,2λ5-thiaphospholane 2-oxide
CID 89445863
4-ethynyl-1-methoxy-1λ5-phosphinane 1-oxide
CID 88889648
trans-(1R,3R)-1,3-diethynylcyclohexane
CID 45079190
4-ethynyl-2-fluoro-1-methoxy-1λ5-phospholane 1-oxide
CID 89446451
ethane-1,2-diol;ethynylcyclopropane
CID 90281730
3-ethynyl-azanidacyclobutane
CID 163376663

Frequently Asked Questions

What is the IUPAC name of 3-ethynyl-1-hydroxy-3,4-dihydro-2H-1λ5-phosphinine 1-oxide?
The IUPAC name of 3-ethynyl-1-hydroxy-3,4-dihydro-2H-1λ5-phosphinine 1-oxide (CID 89442214) is 3-ethynyl-1-hydroxy-3,4-dihydro-2H-1λ5-phosphinine 1-oxide.
What is the SMILES notation for 3-ethynyl-1-hydroxy-3,4-dihydro-2H-1λ5-phosphinine 1-oxide?
The canonical SMILES for 3-ethynyl-1-hydroxy-3,4-dihydro-2H-1λ5-phosphinine 1-oxide is C#CC1CC=CP(=O)(O)C1.
What is the InChIKey of 3-ethynyl-1-hydroxy-3,4-dihydro-2H-1λ5-phosphinine 1-oxide?
The InChIKey is UKKLKJOWMMTALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9O2P/c1-2-7-4-3-5-10(8,9)6-7/h1,3,5,7H,4,6H2,(H,8,9).
What are the key properties of 3-ethynyl-1-hydroxy-3,4-dihydro-2H-1λ5-phosphinine 1-oxide?
3-ethynyl-1-hydroxy-3,4-dihydro-2H-1λ5-phosphinine 1-oxide has a molecular weight of 156.12 g/mol, XLogP of 1.42, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethynyl-1-hydroxy-3,4-dihydro-2H-1λ5-phosphinine 1-oxide is sourced from PubChem (CID 89442214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).