6-ethynyl-2-methoxy-3,6-dihydro-1,2λ5-oxaphosphinine 2-oxide

C7H9O3P — CID 89446463

IUPAC6-ethynyl-2-methoxy-3,6-dihydro-1,2λ5-oxaphosphinine 2-oxide
SMILESC#CC1C=CCP(=O)(OC)O1
InChIInChI=1S/C7H9O3P/c1-3-7-5-4-6-11(8,9-2)10-7/h1,4-5,7H,6H2,2H3
InChIKeyJMDGYAUCUVHXIU-UHFFFAOYSA-N
MW172.12 g/mol
LogP1.41
Rot. Bonds1

About 6-ethynyl-2-methoxy-3,6-dihydro-1,2λ5-oxaphosphinine 2-oxide

6-ethynyl-2-methoxy-3,6-dihydro-1,2λ5-oxaphosphinine 2-oxide (PubChem CID 89446463) has the molecular formula C7H9O3P and a molecular weight of 172.12 g/mol. Its IUPAC name is 6-ethynyl-2-methoxy-3,6-dihydro-1,2λ5-oxaphosphinine 2-oxide.

Molecular Properties

Compound Name6-ethynyl-2-methoxy-3,6-dihydro-1,2λ5-oxaphosphinine 2-oxide
PubChem CID89446463
Molecular FormulaC7H9O3P
Molecular Weight172.12 g/mol
Exact Mass172.03
IUPAC Name6-ethynyl-2-methoxy-3,6-dihydro-1,2λ5-oxaphosphinine 2-oxide
SMILESC#CC1C=CCP(=O)(OC)O1
InChIInChI=1S/C7H9O3P/c1-3-7-5-4-6-11(8,9-2)10-7/h1,4-5,7H,6H2,2H3
InChIKeyJMDGYAUCUVHXIU-UHFFFAOYSA-N
XLogP1.41
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.12
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

5-ethynyl-2-methoxy-4-(trifluoromethyl)-1,2λ5-oxaphospholane 2-oxide
CID 89449796
6-ethynyl-2-methoxy-5-methyl-1,2λ5-oxaphosphinane 2-oxide
CID 88889891
5-ethynyl-2-methylsulfanyl-5H-1,2λ5-oxaphosphole 2-oxide
CID 89446265
5-ethynyl-2-methoxy-3-methyl-1,2λ5-oxaphospholane 2-oxide
CID 89445824
6-methyl-2-phenoxy-3,6-dihydro-1,2λ5-oxaphosphinine 2-oxide
CID 73229129
4-ethynyl-1-methoxy-1λ5-phosphinane 1-oxide
CID 88889648
4-ethynyl-2-methoxy-4-methyl-1,2λ5-oxaphospholane 2-oxide
CID 89445815
4-ethynyl-2-methoxy-4,5-dimethyl-1,2λ5-oxaphosphinane 2-oxide
CID 89442051
6-ethynyl-2-methoxy-1,2λ5-thiaphosphinane 2-oxide
CID 89445887
4-ethynyl-2-fluoro-1-methoxy-1λ5-phospholane 1-oxide
CID 89446451
5-ethynyl-2-methoxy-1-methyl-1,2λ5-azaphosphinane 2-oxide
CID 88889664
5-ethynyl-2-methyl-1,3,2λ5-oxathiaphospholane 2-oxide
CID 89445740

Frequently Asked Questions

What is the IUPAC name of 6-ethynyl-2-methoxy-3,6-dihydro-1,2λ5-oxaphosphinine 2-oxide?
The IUPAC name of 6-ethynyl-2-methoxy-3,6-dihydro-1,2λ5-oxaphosphinine 2-oxide (CID 89446463) is 6-ethynyl-2-methoxy-3,6-dihydro-1,2λ5-oxaphosphinine 2-oxide.
What is the SMILES notation for 6-ethynyl-2-methoxy-3,6-dihydro-1,2λ5-oxaphosphinine 2-oxide?
The canonical SMILES for 6-ethynyl-2-methoxy-3,6-dihydro-1,2λ5-oxaphosphinine 2-oxide is C#CC1C=CCP(=O)(OC)O1.
What is the InChIKey of 6-ethynyl-2-methoxy-3,6-dihydro-1,2λ5-oxaphosphinine 2-oxide?
The InChIKey is JMDGYAUCUVHXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9O3P/c1-3-7-5-4-6-11(8,9-2)10-7/h1,4-5,7H,6H2,2H3.
What are the key properties of 6-ethynyl-2-methoxy-3,6-dihydro-1,2λ5-oxaphosphinine 2-oxide?
6-ethynyl-2-methoxy-3,6-dihydro-1,2λ5-oxaphosphinine 2-oxide has a molecular weight of 172.12 g/mol, XLogP of 1.41, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethynyl-2-methoxy-3,6-dihydro-1,2λ5-oxaphosphinine 2-oxide is sourced from PubChem (CID 89446463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).