6-ethyl-4-ethynyl-2,4-dimethyl-1,2λ5-oxaphosphinane 2-oxide

C10H17O2P — CID 89441597

IUPAC6-ethyl-4-ethynyl-2,4-dimethyl-1,2λ5-oxaphosphinane 2-oxide
SMILESC#CC1(C)CC(CC)OP(C)(=O)C1
InChIInChI=1S/C10H17O2P/c1-5-9-7-10(3,6-2)8-13(4,11)12-9/h2,9H,5,7-8H2,1,3-4H3
InChIKeyBBFMBYPPPSGHHS-UHFFFAOYSA-N
MW200.22 g/mol
LogP2.73
Rot. Bonds1

About 6-ethyl-4-ethynyl-2,4-dimethyl-1,2λ5-oxaphosphinane 2-oxide

6-ethyl-4-ethynyl-2,4-dimethyl-1,2λ5-oxaphosphinane 2-oxide (PubChem CID 89441597) has the molecular formula C10H17O2P and a molecular weight of 200.22 g/mol. Its IUPAC name is 6-ethyl-4-ethynyl-2,4-dimethyl-1,2λ5-oxaphosphinane 2-oxide.

Molecular Properties

Compound Name6-ethyl-4-ethynyl-2,4-dimethyl-1,2λ5-oxaphosphinane 2-oxide
PubChem CID89441597
Molecular FormulaC10H17O2P
Molecular Weight200.22 g/mol
Exact Mass200.10
IUPAC Name6-ethyl-4-ethynyl-2,4-dimethyl-1,2λ5-oxaphosphinane 2-oxide
SMILESC#CC1(C)CC(CC)OP(C)(=O)C1
InChIInChI=1S/C10H17O2P/c1-5-9-7-10(3,6-2)8-13(4,11)12-9/h2,9H,5,7-8H2,1,3-4H3
InChIKeyBBFMBYPPPSGHHS-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
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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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4-ethynyl-2,4-dimethyl-1,2λ5-oxaphosphinane 2-oxide?
The IUPAC name of 6-ethyl-4-ethynyl-2,4-dimethyl-1,2λ5-oxaphosphinane 2-oxide (CID 89441597) is 6-ethyl-4-ethynyl-2,4-dimethyl-1,2λ5-oxaphosphinane 2-oxide.
What is the SMILES notation for 6-ethyl-4-ethynyl-2,4-dimethyl-1,2λ5-oxaphosphinane 2-oxide?
The canonical SMILES for 6-ethyl-4-ethynyl-2,4-dimethyl-1,2λ5-oxaphosphinane 2-oxide is C#CC1(C)CC(CC)OP(C)(=O)C1.
What is the InChIKey of 6-ethyl-4-ethynyl-2,4-dimethyl-1,2λ5-oxaphosphinane 2-oxide?
The InChIKey is BBFMBYPPPSGHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17O2P/c1-5-9-7-10(3,6-2)8-13(4,11)12-9/h2,9H,5,7-8H2,1,3-4H3.
What are the key properties of 6-ethyl-4-ethynyl-2,4-dimethyl-1,2λ5-oxaphosphinane 2-oxide?
6-ethyl-4-ethynyl-2,4-dimethyl-1,2λ5-oxaphosphinane 2-oxide has a molecular weight of 200.22 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4-ethynyl-2,4-dimethyl-1,2λ5-oxaphosphinane 2-oxide is sourced from PubChem (CID 89441597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).