3-ethynyl-1-methoxy-3,4-dimethyl-1λ5-phosphinane 1-oxide

C10H17O2P — CID 89442027

IUPAC3-ethynyl-1-methoxy-3,4-dimethyl-1λ5-phosphinane 1-oxide
SMILESC#CC1(C)CP(=O)(OC)CCC1C
InChIInChI=1S/C10H17O2P/c1-5-10(3)8-13(11,12-4)7-6-9(10)2/h1,9H,6-8H2,2-4H3
InChIKeyLDOYSWPISXBUJI-UHFFFAOYSA-N
MW200.22 g/mol
LogP2.59
Rot. Bonds1

About 3-ethynyl-1-methoxy-3,4-dimethyl-1λ5-phosphinane 1-oxide

3-ethynyl-1-methoxy-3,4-dimethyl-1λ5-phosphinane 1-oxide (PubChem CID 89442027) has the molecular formula C10H17O2P and a molecular weight of 200.22 g/mol. Its IUPAC name is 3-ethynyl-1-methoxy-3,4-dimethyl-1λ5-phosphinane 1-oxide.

Molecular Properties

Compound Name3-ethynyl-1-methoxy-3,4-dimethyl-1λ5-phosphinane 1-oxide
PubChem CID89442027
Molecular FormulaC10H17O2P
Molecular Weight200.22 g/mol
Exact Mass200.10
IUPAC Name3-ethynyl-1-methoxy-3,4-dimethyl-1λ5-phosphinane 1-oxide
SMILESC#CC1(C)CP(=O)(OC)CCC1C
InChIInChI=1S/C10H17O2P/c1-5-10(3)8-13(11,12-4)7-6-9(10)2/h1,9H,6-8H2,2-4H3
InChIKeyLDOYSWPISXBUJI-UHFFFAOYSA-N
XLogP2.59
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.22
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethynyl-1-methoxy-3,4-dimethyl-1λ5-phosphinane 1-oxide?
The IUPAC name of 3-ethynyl-1-methoxy-3,4-dimethyl-1λ5-phosphinane 1-oxide (CID 89442027) is 3-ethynyl-1-methoxy-3,4-dimethyl-1λ5-phosphinane 1-oxide.
What is the SMILES notation for 3-ethynyl-1-methoxy-3,4-dimethyl-1λ5-phosphinane 1-oxide?
The canonical SMILES for 3-ethynyl-1-methoxy-3,4-dimethyl-1λ5-phosphinane 1-oxide is C#CC1(C)CP(=O)(OC)CCC1C.
What is the InChIKey of 3-ethynyl-1-methoxy-3,4-dimethyl-1λ5-phosphinane 1-oxide?
The InChIKey is LDOYSWPISXBUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17O2P/c1-5-10(3)8-13(11,12-4)7-6-9(10)2/h1,9H,6-8H2,2-4H3.
What are the key properties of 3-ethynyl-1-methoxy-3,4-dimethyl-1λ5-phosphinane 1-oxide?
3-ethynyl-1-methoxy-3,4-dimethyl-1λ5-phosphinane 1-oxide has a molecular weight of 200.22 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethynyl-1-methoxy-3,4-dimethyl-1λ5-phosphinane 1-oxide is sourced from PubChem (CID 89442027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).