4-ethynyl-1-methyl-1λ5-phosphinane 1-oxide

C8H13OP — CID 89446066

IUPAC4-ethynyl-1-methyl-1λ5-phosphinane 1-oxide
SMILESC#CC1CCP(C)(=O)CC1
InChIInChI=1S/C8H13OP/c1-3-8-4-6-10(2,9)7-5-8/h1,8H,4-7H2,2H3
InChIKeyJHMYJSRNQLPHDC-UHFFFAOYSA-N
MW156.16 g/mol
LogP2.02
Rot. Bonds

About 4-ethynyl-1-methyl-1λ5-phosphinane 1-oxide

4-ethynyl-1-methyl-1λ5-phosphinane 1-oxide (PubChem CID 89446066) has the molecular formula C8H13OP and a molecular weight of 156.16 g/mol. Its IUPAC name is 4-ethynyl-1-methyl-1λ5-phosphinane 1-oxide.

Molecular Properties

Compound Name4-ethynyl-1-methyl-1λ5-phosphinane 1-oxide
PubChem CID89446066
Molecular FormulaC8H13OP
Molecular Weight156.16 g/mol
Exact Mass156.07
IUPAC Name4-ethynyl-1-methyl-1λ5-phosphinane 1-oxide
SMILESC#CC1CCP(C)(=O)CC1
InChIInChI=1S/C8H13OP/c1-3-8-4-6-10(2,9)7-5-8/h1,8H,4-7H2,2H3
InChIKeyJHMYJSRNQLPHDC-UHFFFAOYSA-N
XLogP2.02
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.16
LogP ≤ 52.02
H-Bond Donors ≤ 50
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-1-methylsulfanyl-1lambda5-phosphinane 1-oxide
CID 88889658
3-Ethynyl-1,2-dimethyl-1lambda5-phospholane 1-oxide
CID 88889847
3-Ethynyl-1,5-dimethyl-1lambda5-phosphinane 1-oxide
CID 88889948
3-Ethynyl-1,4-dimethyl-1lambda5-phosphinane 1-oxide
CID 88889979
(3S)-3-ethynyl-1,4-dimethyl-1lambda5-phosphinane 1-oxide
CID 89442186
3-Ethynyl-1-methyl-1lambda5-phosphinane 1-oxide
CID 89445834
3-Ethynyl-1,4,5-trimethyl-1lambda5-phosphinane 1-oxide
CID 89445989
4-Ethynyl-1-methyl-1-sulfanylidene-1lambda5-phosphinane
CID 89446001
4-Ethynyl-1,3,5-trimethyl-1lambda5-phosphinane 1-oxide
CID 89446105
4-Ethynyl-1,3-dimethyl-1lambda5-phosphinane 1-oxide
CID 89446269
4-Ethynyl-1,4-dimethyl-1lambda5-phosphinane 1-oxide
CID 89446439
3,4-Diethynyl-1-methyl-1lambda5-phosphinane 1-oxide
CID 89446745

Frequently Asked Questions

What is the IUPAC name of 4-ethynyl-1-methyl-1λ5-phosphinane 1-oxide?
The IUPAC name of 4-ethynyl-1-methyl-1λ5-phosphinane 1-oxide (CID 89446066) is 4-ethynyl-1-methyl-1λ5-phosphinane 1-oxide.
What is the SMILES notation for 4-ethynyl-1-methyl-1λ5-phosphinane 1-oxide?
The canonical SMILES for 4-ethynyl-1-methyl-1λ5-phosphinane 1-oxide is C#CC1CCP(C)(=O)CC1.
What is the InChIKey of 4-ethynyl-1-methyl-1λ5-phosphinane 1-oxide?
The InChIKey is JHMYJSRNQLPHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13OP/c1-3-8-4-6-10(2,9)7-5-8/h1,8H,4-7H2,2H3.
What are the key properties of 4-ethynyl-1-methyl-1λ5-phosphinane 1-oxide?
4-ethynyl-1-methyl-1λ5-phosphinane 1-oxide has a molecular weight of 156.16 g/mol, XLogP of 2.02, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethynyl-1-methyl-1λ5-phosphinane 1-oxide is sourced from PubChem (CID 89446066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).