tris(3-ethylheptan-3-yl) phosphite

C27H57O3P — CID 175009117

IUPACtris(3-ethylheptan-3-yl) phosphite
SMILESCCCCC(CC)(CC)OP(OC(CC)(CC)CCCC)OC(CC)(CC)CCCC
InChIInChI=1S/C27H57O3P/c1-10-19-22-25(13-4,14-5)28-31(29-26(15-6,16-7)23-20-11-2)30-27(17-8,18-9)24-21-12-3/h10-24H2,1-9H3
InChIKeyQCBMVOVMBWZACH-UHFFFAOYSA-N
MW460.72 g/mol
LogP10.51
Rot. Bonds21

About tris(3-ethylheptan-3-yl) phosphite

tris(3-ethylheptan-3-yl) phosphite (PubChem CID 175009117) has the molecular formula C27H57O3P and a molecular weight of 460.72 g/mol. Its IUPAC name is tris(3-ethylheptan-3-yl) phosphite.

Molecular Properties

Compound Nametris(3-ethylheptan-3-yl) phosphite
PubChem CID175009117
Molecular FormulaC27H57O3P
Molecular Weight460.72 g/mol
Exact Mass460.40
IUPAC Nametris(3-ethylheptan-3-yl) phosphite
SMILESCCCCC(CC)(CC)OP(OC(CC)(CC)CCCC)OC(CC)(CC)CCCC
InChIInChI=1S/C27H57O3P/c1-10-19-22-25(13-4,14-5)28-31(29-26(15-6,16-7)23-20-11-2)30-27(17-8,18-9)24-21-12-3/h10-24H2,1-9H3
InChIKeyQCBMVOVMBWZACH-UHFFFAOYSA-N
XLogP10.51
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds21
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.72
LogP ≤ 510.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tris(3-ethylheptan-3-yloxy)alumane
CID 141438993
5-butyl-5-(5-butylnonan-5-yloxy)nonane
CID 57230356
3-ethylheptan-3-yloxyphosphinous acid
CID 141201848
3-(3-ethylheptan-3-yloxymethyl)-2,2,3,5-tetramethylhexane
CID 123850778
3-ethyl-3-methoxydecane
CID 89190150
3-butoxy-3-ethyloctane
CID 156635634
3-ethyl-3-hydroperoxytridecane
CID 140733477
5-propylnonan-5-yloxyphosphane
CID 23352969
5-butylnonan-5-yl methyl carbonate
CID 141441033
CID 87683180
CID 87683180
(2-acetyloxy-2-ethylhexyl) acetate
CID 131843569
5-methoxy-5-(3-methoxypropyl)nonane
CID 141413448

Frequently Asked Questions

What is the IUPAC name of tris(3-ethylheptan-3-yl) phosphite?
The IUPAC name of tris(3-ethylheptan-3-yl) phosphite (CID 175009117) is tris(3-ethylheptan-3-yl) phosphite.
What is the SMILES notation for tris(3-ethylheptan-3-yl) phosphite?
The canonical SMILES for tris(3-ethylheptan-3-yl) phosphite is CCCCC(CC)(CC)OP(OC(CC)(CC)CCCC)OC(CC)(CC)CCCC.
What is the InChIKey of tris(3-ethylheptan-3-yl) phosphite?
The InChIKey is QCBMVOVMBWZACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H57O3P/c1-10-19-22-25(13-4,14-5)28-31(29-26(15-6,16-7)23-20-11-2)30-27(17-8,18-9)24-21-12-3/h10-24H2,1-9H3.
What are the key properties of tris(3-ethylheptan-3-yl) phosphite?
tris(3-ethylheptan-3-yl) phosphite has a molecular weight of 460.72 g/mol, XLogP of 10.51, 21 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(3-ethylheptan-3-yl) phosphite is sourced from PubChem (CID 175009117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).