6-ethynyl-2-methoxy-5-methyloxaphosphinane

C8H13O2P — CID 89442187

IUPAC6-ethynyl-2-methoxy-5-methyloxaphosphinane
SMILESC#CC1OP(OC)CCC1C
InChIInChI=1S/C8H13O2P/c1-4-8-7(2)5-6-11(9-3)10-8/h1,7-8H,5-6H2,2-3H3
InChIKeyQULQFYRWEMPUHT-UHFFFAOYSA-N
MW172.16 g/mol
LogP2.00
Rot. Bonds1

About 6-ethynyl-2-methoxy-5-methyloxaphosphinane

6-ethynyl-2-methoxy-5-methyloxaphosphinane (PubChem CID 89442187) has the molecular formula C8H13O2P and a molecular weight of 172.16 g/mol. Its IUPAC name is 6-ethynyl-2-methoxy-5-methyloxaphosphinane.

Molecular Properties

Compound Name6-ethynyl-2-methoxy-5-methyloxaphosphinane
PubChem CID89442187
Molecular FormulaC8H13O2P
Molecular Weight172.16 g/mol
Exact Mass172.07
IUPAC Name6-ethynyl-2-methoxy-5-methyloxaphosphinane
SMILESC#CC1OP(OC)CCC1C
InChIInChI=1S/C8H13O2P/c1-4-8-7(2)5-6-11(9-3)10-8/h1,7-8H,5-6H2,2-3H3
InChIKeyQULQFYRWEMPUHT-UHFFFAOYSA-N
XLogP2.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.16
LogP ≤ 52.00
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'}

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Related Compounds

6-Ethynyl-2-methoxy-5,5-dimethyl-1,2lambda5-oxaphosphinane 2-oxide
CID 88889665
6-Ethynyl-2,5-dimethyl-1,2lambda5-oxaphosphinane 2-oxide
CID 88889874
6-Ethynyl-2-methoxy-5-methyl-1,2lambda5-oxaphosphinane 2-oxide
CID 88889891
6-Ethynyl-2-methoxy-4-methyl-1,2lambda5-oxaphosphinane 2-oxide
CID 88889997
5,6-Diethynyl-2-methyl-1,2lambda5-oxaphosphinane 2-oxide
CID 89442125
5,6-Diethynyl-2-hydroxy-1,2lambda5-oxaphosphinane 2-oxide
CID 89442126
6-Ethynyl-2-hydroxy-4-methyl-1,2lambda5-oxaphosphinane 2-oxide
CID 89442179
4-Ethynyl-2,6-dimethyl-1,2lambda5-oxaphosphinane 2-oxide
CID 89442182
4-Ethynyl-2,5,6-trimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide
CID 89442184
4-Ethynyl-2-hydroxy-5,6-dimethyl-1,2lambda5-oxaphosphinane 2-oxide
CID 89442185
6-Ethynyl-2-methoxy-4,5-dimethyl-1,2lambda5-oxaphosphinane 2-oxide
CID 89442189
6-Ethynyl-2,4-dimethyl-1,2lambda5-oxaphosphinane 2-oxide
CID 89442192

Frequently Asked Questions

What is the IUPAC name of 6-ethynyl-2-methoxy-5-methyloxaphosphinane?
The IUPAC name of 6-ethynyl-2-methoxy-5-methyloxaphosphinane (CID 89442187) is 6-ethynyl-2-methoxy-5-methyloxaphosphinane.
What is the SMILES notation for 6-ethynyl-2-methoxy-5-methyloxaphosphinane?
The canonical SMILES for 6-ethynyl-2-methoxy-5-methyloxaphosphinane is C#CC1OP(OC)CCC1C.
What is the InChIKey of 6-ethynyl-2-methoxy-5-methyloxaphosphinane?
The InChIKey is QULQFYRWEMPUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13O2P/c1-4-8-7(2)5-6-11(9-3)10-8/h1,7-8H,5-6H2,2-3H3.
What are the key properties of 6-ethynyl-2-methoxy-5-methyloxaphosphinane?
6-ethynyl-2-methoxy-5-methyloxaphosphinane has a molecular weight of 172.16 g/mol, XLogP of 2.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethynyl-2-methoxy-5-methyloxaphosphinane is sourced from PubChem (CID 89442187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).