3-ethynyl-1-methoxy-4,5-dimethyl-1λ5-phosphinane 1-oxide

C10H17O2P — CID 88890248

IUPAC3-ethynyl-1-methoxy-4,5-dimethyl-1λ5-phosphinane 1-oxide
SMILESC#CC1CP(=O)(OC)CC(C)C1C
InChIInChI=1S/C10H17O2P/c1-5-10-7-13(11,12-4)6-8(2)9(10)3/h1,8-10H,6-7H2,2-4H3
InChIKeyCBRNBGRSMOWKAF-UHFFFAOYSA-N
MW200.22 g/mol
LogP2.45
Rot. Bonds1

About 3-ethynyl-1-methoxy-4,5-dimethyl-1λ5-phosphinane 1-oxide

3-ethynyl-1-methoxy-4,5-dimethyl-1λ5-phosphinane 1-oxide (PubChem CID 88890248) has the molecular formula C10H17O2P and a molecular weight of 200.22 g/mol. Its IUPAC name is 3-ethynyl-1-methoxy-4,5-dimethyl-1λ5-phosphinane 1-oxide.

Molecular Properties

Compound Name3-ethynyl-1-methoxy-4,5-dimethyl-1λ5-phosphinane 1-oxide
PubChem CID88890248
Molecular FormulaC10H17O2P
Molecular Weight200.22 g/mol
Exact Mass200.10
IUPAC Name3-ethynyl-1-methoxy-4,5-dimethyl-1λ5-phosphinane 1-oxide
SMILESC#CC1CP(=O)(OC)CC(C)C1C
InChIInChI=1S/C10H17O2P/c1-5-10-7-13(11,12-4)6-8(2)9(10)3/h1,8-10H,6-7H2,2-4H3
InChIKeyCBRNBGRSMOWKAF-UHFFFAOYSA-N
XLogP2.45
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 ≤ 52.45
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'}

Analyze 3-ethynyl-1-methoxy-4,5-dimethyl-1λ5-phosphinane 1-oxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Ethynyl-1-methoxy-1lambda5-phosphinane 1-oxide
CID 88889648
5-Ethynyl-1-methoxy-3,3-dimethyl-1lambda5-phosphinane 1-oxide
CID 88889693
3-Ethynyl-1-methoxy-5-methyl-1lambda5-phosphinane 1-oxide
CID 88889994
3-Ethynyl-1-methoxy-1lambda5-phosphinane 1-oxide
CID 88890174
4-Ethynyl-1-methoxy-2,3-dimethyl-1lambda5-phospholane 1-oxide
CID 89441963
3-Ethynyl-1-methoxy-3,4-dimethyl-1lambda5-phosphinane 1-oxide
CID 89442027
3-Ethynyl-1-methoxy-4,4-dimethyl-1lambda5-phosphinane 1-oxide
CID 89442046
6-Ethynyl-2,5,6-trimethyl-1,2lambda5-oxaphosphinane 2-oxide
CID 89442103
3-Ethynyl-1-hydroxy-4,5-dimethyl-1lambda5-phosphinane 1-oxide
CID 89442195
4-Ethynyl-2,5,6-trimethyl-1,2lambda5-oxaphosphinane 2-oxide
CID 89442205
3-Ethynyl-1-hydroxy-4-methyl-1lambda5-phosphinane 1-oxide
CID 89442212
3-Ethyl-4-ethynyl-1-methoxy-1lambda5-phospholane 1-oxide
CID 89445798

Frequently Asked Questions

What is the IUPAC name of 3-ethynyl-1-methoxy-4,5-dimethyl-1λ5-phosphinane 1-oxide?
The IUPAC name of 3-ethynyl-1-methoxy-4,5-dimethyl-1λ5-phosphinane 1-oxide (CID 88890248) is 3-ethynyl-1-methoxy-4,5-dimethyl-1λ5-phosphinane 1-oxide.
What is the SMILES notation for 3-ethynyl-1-methoxy-4,5-dimethyl-1λ5-phosphinane 1-oxide?
The canonical SMILES for 3-ethynyl-1-methoxy-4,5-dimethyl-1λ5-phosphinane 1-oxide is C#CC1CP(=O)(OC)CC(C)C1C.
What is the InChIKey of 3-ethynyl-1-methoxy-4,5-dimethyl-1λ5-phosphinane 1-oxide?
The InChIKey is CBRNBGRSMOWKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17O2P/c1-5-10-7-13(11,12-4)6-8(2)9(10)3/h1,8-10H,6-7H2,2-4H3.
What are the key properties of 3-ethynyl-1-methoxy-4,5-dimethyl-1λ5-phosphinane 1-oxide?
3-ethynyl-1-methoxy-4,5-dimethyl-1λ5-phosphinane 1-oxide has a molecular weight of 200.22 g/mol, XLogP of 2.45, 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-4,5-dimethyl-1λ5-phosphinane 1-oxide is sourced from PubChem (CID 88890248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).