2,4-diethyl-6-propyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide

C7H17O6P3 — CID 166945501

IUPAC2,4-diethyl-6-propyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide
SMILESCCCP1(=O)OP(=O)(CC)OP(=O)(CC)O1
InChIInChI=1S/C7H17O6P3/c1-4-7-16(10)12-14(8,5-2)11-15(9,6-3)13-16/h4-7H2,1-3H3
InChIKeySYRCJIFCCQZWBV-UHFFFAOYSA-N
MW290.13 g/mol
LogP4.08
Rot. Bonds4

About 2,4-diethyl-6-propyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide

2,4-diethyl-6-propyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide (PubChem CID 166945501) has the molecular formula C7H17O6P3 and a molecular weight of 290.13 g/mol. Its IUPAC name is 2,4-diethyl-6-propyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide.

Molecular Properties

Compound Name2,4-diethyl-6-propyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide
PubChem CID166945501
Molecular FormulaC7H17O6P3
Molecular Weight290.13 g/mol
Exact Mass290.02
IUPAC Name2,4-diethyl-6-propyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide
SMILESCCCP1(=O)OP(=O)(CC)OP(=O)(CC)O1
InChIInChI=1S/C7H17O6P3/c1-4-7-16(10)12-14(8,5-2)11-15(9,6-3)13-16/h4-7H2,1-3H3
InChIKeySYRCJIFCCQZWBV-UHFFFAOYSA-N
XLogP4.08
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.13
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2,4-diethyl-6-propyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-di(propan-2-yl)-5-(2,4,6-trioxo-4,6-dipropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinan-2-yl)pentan-1-amine
CID 135291805
1-propyl-1λ5-phosphinane 1-oxide
CID 23117456
1-ethylsulfonylethane;methoxymethane
CID 174793539
2-[butyl(dimethyl)silyl]oxypropanal
CID 87127239
methyl 2-hydroxypentanoate
CID 543619
butane;formaldehyde
CID 19870810
zinc pentane
CID 19065630
butane;2-hydroxypropanamide
CID 87347972
bis(2,2-difluoroacetate);dipropyltin(2+)
CID 88726506
methoxy(trimethyl)silane;propoxy(tripropyl)silane
CID 141486227
2-hexoxy-4,6-dihydroxy-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide
CID 141080121
ethyl 3-carbamoylimino-2-methoxypropanoate
CID 57059916

Frequently Asked Questions

What is the IUPAC name of 2,4-diethyl-6-propyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide?
The IUPAC name of 2,4-diethyl-6-propyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide (CID 166945501) is 2,4-diethyl-6-propyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide.
What is the SMILES notation for 2,4-diethyl-6-propyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide?
The canonical SMILES for 2,4-diethyl-6-propyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide is CCCP1(=O)OP(=O)(CC)OP(=O)(CC)O1.
What is the InChIKey of 2,4-diethyl-6-propyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide?
The InChIKey is SYRCJIFCCQZWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17O6P3/c1-4-7-16(10)12-14(8,5-2)11-15(9,6-3)13-16/h4-7H2,1-3H3.
What are the key properties of 2,4-diethyl-6-propyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide?
2,4-diethyl-6-propyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide has a molecular weight of 290.13 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diethyl-6-propyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide is sourced from PubChem (CID 166945501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).