3-ethynyl-1,3,5-trimethyl-1λ5-phosphinane 1-oxide

C10H17OP — CID 89442016

IUPAC3-ethynyl-1,3,5-trimethyl-1λ5-phosphinane 1-oxide
SMILESC#CC1(C)CC(C)CP(C)(=O)C1
InChIInChI=1S/C10H17OP/c1-5-10(3)6-9(2)7-12(4,11)8-10/h1,9H,6-8H2,2-4H3
InChIKeyHCOJWTBHXWRHOH-UHFFFAOYSA-N
MW184.22 g/mol
LogP2.66
Rot. Bonds

About 3-ethynyl-1,3,5-trimethyl-1λ5-phosphinane 1-oxide

3-ethynyl-1,3,5-trimethyl-1λ5-phosphinane 1-oxide (PubChem CID 89442016) has the molecular formula C10H17OP and a molecular weight of 184.22 g/mol. Its IUPAC name is 3-ethynyl-1,3,5-trimethyl-1λ5-phosphinane 1-oxide.

Molecular Properties

Compound Name3-ethynyl-1,3,5-trimethyl-1λ5-phosphinane 1-oxide
PubChem CID89442016
Molecular FormulaC10H17OP
Molecular Weight184.22 g/mol
Exact Mass184.10
IUPAC Name3-ethynyl-1,3,5-trimethyl-1λ5-phosphinane 1-oxide
SMILESC#CC1(C)CC(C)CP(C)(=O)C1
InChIInChI=1S/C10H17OP/c1-5-10(3)6-9(2)7-12(4,11)8-10/h1,9H,6-8H2,2-4H3
InChIKeyHCOJWTBHXWRHOH-UHFFFAOYSA-N
XLogP2.66
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.22
LogP ≤ 52.66
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

3-Ethynyl-1,4,4-trimethyl-1lambda5-phosphinane 1-oxide
CID 88889717
3-Ethynyl-1,5-dimethyl-1lambda5-phosphinane 1-oxide
CID 88889948
3-Ethynyl-1,3-dimethyl-1lambda5-phosphinane 1-oxide
CID 88890253
3-Ethynyl-1,3,4-trimethyl-1lambda5-phosphinane 1-oxide
CID 89442050
5-Ethynyl-1,3,3-trimethyl-1lambda5-phosphinane 1-oxide
CID 89442081
5-Ethynyl-1-hydroxy-3,3-dimethylphosphinane
CID 89442117
3-Ethynyl-1-methyl-1lambda5-phosphinane 1-oxide
CID 89445834
3-Ethynyl-1,4,5-trimethyl-1lambda5-phosphinane 1-oxide
CID 89445989
4-Ethynyl-1,3,5-trimethyl-1lambda5-phosphinane 1-oxide
CID 89446105
4-Ethynyl-1,3,3-trimethyl-1lambda5-phosphinane 1-oxide
CID 89446106
4-Ethynyl-1,3,4-trimethyl-1lambda5-phosphinane 1-oxide
CID 89446320
4-Ethynyl-1,4-dimethyl-1lambda5-phosphinane 1-oxide
CID 89446439

Frequently Asked Questions

What is the IUPAC name of 3-ethynyl-1,3,5-trimethyl-1λ5-phosphinane 1-oxide?
The IUPAC name of 3-ethynyl-1,3,5-trimethyl-1λ5-phosphinane 1-oxide (CID 89442016) is 3-ethynyl-1,3,5-trimethyl-1λ5-phosphinane 1-oxide.
What is the SMILES notation for 3-ethynyl-1,3,5-trimethyl-1λ5-phosphinane 1-oxide?
The canonical SMILES for 3-ethynyl-1,3,5-trimethyl-1λ5-phosphinane 1-oxide is C#CC1(C)CC(C)CP(C)(=O)C1.
What is the InChIKey of 3-ethynyl-1,3,5-trimethyl-1λ5-phosphinane 1-oxide?
The InChIKey is HCOJWTBHXWRHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17OP/c1-5-10(3)6-9(2)7-12(4,11)8-10/h1,9H,6-8H2,2-4H3.
What are the key properties of 3-ethynyl-1,3,5-trimethyl-1λ5-phosphinane 1-oxide?
3-ethynyl-1,3,5-trimethyl-1λ5-phosphinane 1-oxide has a molecular weight of 184.22 g/mol, XLogP of 2.66, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethynyl-1,3,5-trimethyl-1λ5-phosphinane 1-oxide is sourced from PubChem (CID 89442016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).