(5-ethyl-2-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl)methoxy-methyl-oxophosphanium

C8H17O5P2+ — CID 22951906

IUPAC(5-ethyl-2-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl)methoxy-methyl-oxophosphanium
SMILESCCC1(CO[P+](C)=O)COP(C)(=O)OC1
InChIInChI=1S/C8H17O5P2/c1-4-8(5-11-14(2)9)6-12-15(3,10)13-7-8/h4-7H2,1-3H3/q+1
InChIKeyDJPWFTNKKRRFNK-UHFFFAOYSA-N
MW255.17 g/mol
LogP2.64
Rot. Bonds4

About (5-ethyl-2-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl)methoxy-methyl-oxophosphanium

(5-ethyl-2-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl)methoxy-methyl-oxophosphanium (PubChem CID 22951906) has the molecular formula C8H17O5P2+ and a molecular weight of 255.17 g/mol. Its IUPAC name is (5-ethyl-2-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl)methoxy-methyl-oxophosphanium.

Molecular Properties

Compound Name(5-ethyl-2-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl)methoxy-methyl-oxophosphanium
PubChem CID22951906
Molecular FormulaC8H17O5P2+
Molecular Weight255.17 g/mol
Exact Mass255.05
IUPAC Name(5-ethyl-2-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl)methoxy-methyl-oxophosphanium
SMILESCCC1(CO[P+](C)=O)COP(C)(=O)OC1
InChIInChI=1S/C8H17O5P2/c1-4-8(5-11-14(2)9)6-12-15(3,10)13-7-8/h4-7H2,1-3H3/q+1
InChIKeyDJPWFTNKKRRFNK-UHFFFAOYSA-N
XLogP2.64
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.17
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

CID 94516
CID 94516
CID 94526
CID 94526
CID 2778008
CID 2778008
CID 13841520
CID 13841520
CID 298813
CID 298813
CID 304722
CID 304722
CID 371770
CID 371770
CID 90047620
CID 90047620
CID 169581255
CID 169581255
CID 298826
CID 298826
CID 23261978
CID 23261978
CID 57641081
CID 57641081

Frequently Asked Questions

What is the IUPAC name of (5-ethyl-2-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl)methoxy-methyl-oxophosphanium?
The IUPAC name of (5-ethyl-2-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl)methoxy-methyl-oxophosphanium (CID 22951906) is (5-ethyl-2-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl)methoxy-methyl-oxophosphanium.
What is the SMILES notation for (5-ethyl-2-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl)methoxy-methyl-oxophosphanium?
The canonical SMILES for (5-ethyl-2-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl)methoxy-methyl-oxophosphanium is CCC1(CO[P+](C)=O)COP(C)(=O)OC1.
What is the InChIKey of (5-ethyl-2-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl)methoxy-methyl-oxophosphanium?
The InChIKey is DJPWFTNKKRRFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17O5P2/c1-4-8(5-11-14(2)9)6-12-15(3,10)13-7-8/h4-7H2,1-3H3/q+1.
What are the key properties of (5-ethyl-2-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl)methoxy-methyl-oxophosphanium?
(5-ethyl-2-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl)methoxy-methyl-oxophosphanium has a molecular weight of 255.17 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-2-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl)methoxy-methyl-oxophosphanium is sourced from PubChem (CID 22951906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).