5-ethynyl-1-hydroxy-3,3-dimethylphosphinane

C9H15OP — CID 89442117

IUPAC5-ethynyl-1-hydroxy-3,3-dimethylphosphinane
SMILESC#CC1CP(O)CC(C)(C)C1
InChIInChI=1S/C9H15OP/c1-4-8-5-9(2,3)7-11(10)6-8/h1,8,10H,5-7H2,2-3H3
InChIKeyPLNCUUGMCJXONF-UHFFFAOYSA-N
MW170.19 g/mol
LogP2.05
Rot. Bonds

About 5-ethynyl-1-hydroxy-3,3-dimethylphosphinane

5-ethynyl-1-hydroxy-3,3-dimethylphosphinane (PubChem CID 89442117) has the molecular formula C9H15OP and a molecular weight of 170.19 g/mol. Its IUPAC name is 5-ethynyl-1-hydroxy-3,3-dimethylphosphinane.

Molecular Properties

Compound Name5-ethynyl-1-hydroxy-3,3-dimethylphosphinane
PubChem CID89442117
Molecular FormulaC9H15OP
Molecular Weight170.19 g/mol
Exact Mass170.09
IUPAC Name5-ethynyl-1-hydroxy-3,3-dimethylphosphinane
SMILESC#CC1CP(O)CC(C)(C)C1
InChIInChI=1S/C9H15OP/c1-4-8-5-9(2,3)7-11(10)6-8/h1,8,10H,5-7H2,2-3H3
InChIKeyPLNCUUGMCJXONF-UHFFFAOYSA-N
XLogP2.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.19
LogP ≤ 52.05
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

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-1,3,5-trimethyl-1lambda5-phosphinane 1-oxide
CID 89442016
3-Ethynyl-1,3,4-trimethyl-1lambda5-phosphinane 1-oxide
CID 89442050
5-Ethynyl-1,3,3-trimethyl-1lambda5-phosphinane 1-oxide
CID 89442081
3-Ethynyl-1-hydroxy-3-methyl-1lambda5-phosphinane 1-oxide
CID 89442204
3-Ethynyl-1-methyl-1lambda5-phosphinane 1-oxide
CID 89445834
4-Ethynyl-1,3,3-trimethyl-1lambda5-phosphinane 1-oxide
CID 89446106
4-Ethynyl-1,3,4-trimethyl-1lambda5-phosphinane 1-oxide
CID 89446320
3,5-Diethynyl-1-methyl-1lambda5-phosphinane 1-oxide
CID 89446933
(5S)-3-ethynyl-1-hydroxy-1,5-dimethylphosphinan-1-ium
CID 89703539

Frequently Asked Questions

What is the IUPAC name of 5-ethynyl-1-hydroxy-3,3-dimethylphosphinane?
The IUPAC name of 5-ethynyl-1-hydroxy-3,3-dimethylphosphinane (CID 89442117) is 5-ethynyl-1-hydroxy-3,3-dimethylphosphinane.
What is the SMILES notation for 5-ethynyl-1-hydroxy-3,3-dimethylphosphinane?
The canonical SMILES for 5-ethynyl-1-hydroxy-3,3-dimethylphosphinane is C#CC1CP(O)CC(C)(C)C1.
What is the InChIKey of 5-ethynyl-1-hydroxy-3,3-dimethylphosphinane?
The InChIKey is PLNCUUGMCJXONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15OP/c1-4-8-5-9(2,3)7-11(10)6-8/h1,8,10H,5-7H2,2-3H3.
What are the key properties of 5-ethynyl-1-hydroxy-3,3-dimethylphosphinane?
5-ethynyl-1-hydroxy-3,3-dimethylphosphinane has a molecular weight of 170.19 g/mol, XLogP of 2.05, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethynyl-1-hydroxy-3,3-dimethylphosphinane is sourced from PubChem (CID 89442117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).