trihexan-3-yl phosphite

C18H39O3P — CID 88792462

IUPACtrihexan-3-yl phosphite
SMILESCCCC(CC)OP(OC(CC)CCC)OC(CC)CCC
InChIInChI=1S/C18H39O3P/c1-7-13-16(10-4)19-22(20-17(11-5)14-8-2)21-18(12-6)15-9-3/h16-18H,7-15H2,1-6H3
InChIKeyJKDJMBZPSRCQJE-UHFFFAOYSA-N
MW334.48 g/mol
LogP7.00
Rot. Bonds15

About trihexan-3-yl phosphite

trihexan-3-yl phosphite (PubChem CID 88792462) has the molecular formula C18H39O3P and a molecular weight of 334.48 g/mol. Its IUPAC name is trihexan-3-yl phosphite.

Molecular Properties

Compound Nametrihexan-3-yl phosphite
PubChem CID88792462
Molecular FormulaC18H39O3P
Molecular Weight334.48 g/mol
Exact Mass334.26
IUPAC Nametrihexan-3-yl phosphite
SMILESCCCC(CC)OP(OC(CC)CCC)OC(CC)CCC
InChIInChI=1S/C18H39O3P/c1-7-13-16(10-4)19-22(20-17(11-5)14-8-2)21-18(12-6)15-9-3/h16-18H,7-15H2,1-6H3
InChIKeyJKDJMBZPSRCQJE-UHFFFAOYSA-N
XLogP7.00
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.48
LogP ≤ 57.00
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

tripentadecan-6-yl phosphite
CID 87207088
ethyl-methyl-octan-3-yloxyphosphane
CID 22628649
octadecan-3-yl dihydrogen phosphite
CID 87219240
tris(dioctan-3-yl phosphite);neodymium(3+)
CID 173353082
hexan-3-yloxyalumane
CID 173043505
octan-3-yloxy(3-octan-3-yloxysilylpropyl)silane
CID 123694171
octan-3-yloxy(4-octan-3-yloxysilylbutyl)silane
CID 123952140
hexan-3-yloxy(4-hexan-3-yloxysilylbutyl)silane
CID 123700274
3-icosan-3-yloxyicosane
CID 22595200
hexan-3-yloxy(oxo)phosphanium
CID 123426808
3-pentadecan-3-yloxypentadecane
CID 57200588
di(tricosan-3-yloxy)silane
CID 173236024

Frequently Asked Questions

What is the IUPAC name of trihexan-3-yl phosphite?
The IUPAC name of trihexan-3-yl phosphite (CID 88792462) is trihexan-3-yl phosphite.
What is the SMILES notation for trihexan-3-yl phosphite?
The canonical SMILES for trihexan-3-yl phosphite is CCCC(CC)OP(OC(CC)CCC)OC(CC)CCC.
What is the InChIKey of trihexan-3-yl phosphite?
The InChIKey is JKDJMBZPSRCQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39O3P/c1-7-13-16(10-4)19-22(20-17(11-5)14-8-2)21-18(12-6)15-9-3/h16-18H,7-15H2,1-6H3.
What are the key properties of trihexan-3-yl phosphite?
trihexan-3-yl phosphite has a molecular weight of 334.48 g/mol, XLogP of 7.00, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trihexan-3-yl phosphite is sourced from PubChem (CID 88792462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).