2,8-bis(diethoxyphosphoryl)decane;2,7,8-tris(diethoxyphosphoryl)decane

C40H89O15P5 — CID 163580993

IUPAC2,8-bis(diethoxyphosphoryl)decane;2,7,8-tris(diethoxyphosphoryl)decane
SMILESCCOP(=O)(OCC)C(C)CCCCC(C(CC)P(=O)(OCC)OCC)P(=O)(OCC)OCC.CCOP(=O)(OCC)C(C)CCCCCC(CC)P(=O)(OCC)OCC
InChIInChI=1S/C22H49O9P3.C18H40O6P2/c1-9-21(33(24,28-12-4)29-13-5)22(34(25,30-14-6)31-15-7)19-17-16-18-20(8)32(23,26-10-2)27-11-3;1-7-18(26(20,23-10-4)24-11-5)16-14-12-13-15-17(6)25(19,21-8-2)22-9-3/h20-22H,9-19H2,1-8H3;17-18H,7-16H2,1-6H3
InChIKeyGHNGEEKSKFQJQV-UHFFFAOYSA-N
MW965.01 g/mol
LogP14.52
Rot. Bonds39

About 2,8-bis(diethoxyphosphoryl)decane;2,7,8-tris(diethoxyphosphoryl)decane

2,8-bis(diethoxyphosphoryl)decane;2,7,8-tris(diethoxyphosphoryl)decane (PubChem CID 163580993) has the molecular formula C40H89O15P5 and a molecular weight of 965.01 g/mol. Its IUPAC name is 2,8-bis(diethoxyphosphoryl)decane;2,7,8-tris(diethoxyphosphoryl)decane.

Molecular Properties

Compound Name2,8-bis(diethoxyphosphoryl)decane;2,7,8-tris(diethoxyphosphoryl)decane
PubChem CID163580993
Molecular FormulaC40H89O15P5
Molecular Weight965.01 g/mol
Exact Mass964.49
IUPAC Name2,8-bis(diethoxyphosphoryl)decane;2,7,8-tris(diethoxyphosphoryl)decane
SMILESCCOP(=O)(OCC)C(C)CCCCC(C(CC)P(=O)(OCC)OCC)P(=O)(OCC)OCC.CCOP(=O)(OCC)C(C)CCCCCC(CC)P(=O)(OCC)OCC
InChIInChI=1S/C22H49O9P3.C18H40O6P2/c1-9-21(33(24,28-12-4)29-13-5)22(34(25,30-14-6)31-15-7)19-17-16-18-20(8)32(23,26-10-2)27-11-3;1-7-18(26(20,23-10-4)24-11-5)16-14-12-13-15-17(6)25(19,21-8-2)22-9-3/h20-22H,9-19H2,1-8H3;17-18H,7-16H2,1-6H3
InChIKeyGHNGEEKSKFQJQV-UHFFFAOYSA-N
XLogP14.52
TPSA177.65 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds39
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500965.01
LogP ≤ 514.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 2,8-bis(diethoxyphosphoryl)decane;2,7,8-tris(diethoxyphosphoryl)decane 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

2-diethoxyphosphorylbutane
CID 2733649
(2S,3R)-3-diethoxyphosphorylpentan-2-ol
CID 166436787
1-deuterio-3-diethoxyphosphorylbutane
CID 58697726
1,1-bis(diethoxyphosphoryl)tridecane
CID 172732742
ethyl (2S,3R)-3-diethoxyphosphoryl-2-hydroxyheptanoate
CID 23238044
3-diethoxyphosphorylpentanenitrile
CID 54443220
2-[octan-2-yl(octan-2-yloxy)phosphoryl]oxyoctane
CID 88710365
1-diethoxyphosphoryl-1-fluoropentane
CID 10775597
ethyl 16-methylheptadecyl hydrogen phosphate
CID 174994214
1-deuterio-1-diethoxyphosphoryl-1-fluoroethane
CID 10910232
1-diethoxyphosphorylethanamine
CID 5149858
2-diethoxyphosphoryl-1-phenylhexan-1-ol
CID 42646641

Frequently Asked Questions

What is the IUPAC name of 2,8-bis(diethoxyphosphoryl)decane;2,7,8-tris(diethoxyphosphoryl)decane?
The IUPAC name of 2,8-bis(diethoxyphosphoryl)decane;2,7,8-tris(diethoxyphosphoryl)decane (CID 163580993) is 2,8-bis(diethoxyphosphoryl)decane;2,7,8-tris(diethoxyphosphoryl)decane.
What is the SMILES notation for 2,8-bis(diethoxyphosphoryl)decane;2,7,8-tris(diethoxyphosphoryl)decane?
The canonical SMILES for 2,8-bis(diethoxyphosphoryl)decane;2,7,8-tris(diethoxyphosphoryl)decane is CCOP(=O)(OCC)C(C)CCCCC(C(CC)P(=O)(OCC)OCC)P(=O)(OCC)OCC.CCOP(=O)(OCC)C(C)CCCCCC(CC)P(=O)(OCC)OCC.
What is the InChIKey of 2,8-bis(diethoxyphosphoryl)decane;2,7,8-tris(diethoxyphosphoryl)decane?
The InChIKey is GHNGEEKSKFQJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H49O9P3.C18H40O6P2/c1-9-21(33(24,28-12-4)29-13-5)22(34(25,30-14-6)31-15-7)19-17-16-18-20(8)32(23,26-10-2)27-11-3;1-7-18(26(20,23-10-4)24-11-5)16-14-12-13-15-17(6)25(19,21-8-2)22-9-3/h20-22H,9-19H2,1-8H3;17-18H,7-16H2,1-6H3.
What are the key properties of 2,8-bis(diethoxyphosphoryl)decane;2,7,8-tris(diethoxyphosphoryl)decane?
2,8-bis(diethoxyphosphoryl)decane;2,7,8-tris(diethoxyphosphoryl)decane has a molecular weight of 965.01 g/mol, XLogP of 14.52, 39 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-bis(diethoxyphosphoryl)decane;2,7,8-tris(diethoxyphosphoryl)decane is sourced from PubChem (CID 163580993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).