5-ethynyl-2-methoxy-3-methyl-1,2λ5-oxaphospholane 2-oxide

C7H11O3P — CID 89445824

IUPAC5-ethynyl-2-methoxy-3-methyl-1,2λ5-oxaphospholane 2-oxide
SMILESC#CC1CC(C)P(=O)(OC)O1
InChIInChI=1S/C7H11O3P/c1-4-7-5-6(2)11(8,9-3)10-7/h1,6-7H,5H2,2-3H3
InChIKeyKMKSJTZDRWFRCG-UHFFFAOYSA-N
MW174.14 g/mol
LogP1.64
Rot. Bonds1

About 5-ethynyl-2-methoxy-3-methyl-1,2λ5-oxaphospholane 2-oxide

5-ethynyl-2-methoxy-3-methyl-1,2λ5-oxaphospholane 2-oxide (PubChem CID 89445824) has the molecular formula C7H11O3P and a molecular weight of 174.14 g/mol. Its IUPAC name is 5-ethynyl-2-methoxy-3-methyl-1,2λ5-oxaphospholane 2-oxide.

Molecular Properties

Compound Name5-ethynyl-2-methoxy-3-methyl-1,2λ5-oxaphospholane 2-oxide
PubChem CID89445824
Molecular FormulaC7H11O3P
Molecular Weight174.14 g/mol
Exact Mass174.04
IUPAC Name5-ethynyl-2-methoxy-3-methyl-1,2λ5-oxaphospholane 2-oxide
SMILESC#CC1CC(C)P(=O)(OC)O1
InChIInChI=1S/C7H11O3P/c1-4-7-5-6(2)11(8,9-3)10-7/h1,6-7H,5H2,2-3H3
InChIKeyKMKSJTZDRWFRCG-UHFFFAOYSA-N
XLogP1.64
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.14
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

(2S,3R,5S)-2-methoxy-5-methyl-2-oxo-1,2λ5-oxaphospholan-3-ol
CID 23420977
6-ethynyl-2-methoxy-5-methyl-1,2λ5-oxaphosphinane 2-oxide
CID 88889891
5-ethynyl-2-methyl-1,3,2λ5-oxathiaphospholane 2-oxide
CID 89445740
5-ethynyl-4-fluoro-2-methoxy-1,2λ5-oxaphospholane 2-oxide
CID 89446117
4-ethynyl-2-methyl-1,3,2λ5-dioxaphosphinane 2-oxide
CID 89445968
6-ethynyl-2-methoxy-3,6-dihydro-1,2λ5-oxaphosphinine 2-oxide
CID 89446463
2-ethoxy-4-ethynyl-1,3,2λ5-dioxaphospholane 2-oxide
CID 88889497
4-ethynyl-1-methoxy-1λ5-phosphinane 1-oxide
CID 88889648
5-ethynyl-3-methyloxathiolane 2,2-dioxide
CID 89445891
4-ethynyl-2-fluoro-1-methoxy-1λ5-phospholane 1-oxide
CID 89446451
5-ethynyl-2-methoxy-4-(trifluoromethyl)-1,2λ5-oxaphospholane 2-oxide
CID 89449796
6-ethynyl-4-methyloxan-2-one
CID 89442177

Frequently Asked Questions

What is the IUPAC name of 5-ethynyl-2-methoxy-3-methyl-1,2λ5-oxaphospholane 2-oxide?
The IUPAC name of 5-ethynyl-2-methoxy-3-methyl-1,2λ5-oxaphospholane 2-oxide (CID 89445824) is 5-ethynyl-2-methoxy-3-methyl-1,2λ5-oxaphospholane 2-oxide.
What is the SMILES notation for 5-ethynyl-2-methoxy-3-methyl-1,2λ5-oxaphospholane 2-oxide?
The canonical SMILES for 5-ethynyl-2-methoxy-3-methyl-1,2λ5-oxaphospholane 2-oxide is C#CC1CC(C)P(=O)(OC)O1.
What is the InChIKey of 5-ethynyl-2-methoxy-3-methyl-1,2λ5-oxaphospholane 2-oxide?
The InChIKey is KMKSJTZDRWFRCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11O3P/c1-4-7-5-6(2)11(8,9-3)10-7/h1,6-7H,5H2,2-3H3.
What are the key properties of 5-ethynyl-2-methoxy-3-methyl-1,2λ5-oxaphospholane 2-oxide?
5-ethynyl-2-methoxy-3-methyl-1,2λ5-oxaphospholane 2-oxide has a molecular weight of 174.14 g/mol, XLogP of 1.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethynyl-2-methoxy-3-methyl-1,2λ5-oxaphospholane 2-oxide is sourced from PubChem (CID 89445824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).