disodium;hexyl phosphite

C6H13Na2O3P — CID 139691830

IUPACdisodium;hexyl phosphite
SMILESCCCCCCOP([O-])[O-].[Na+].[Na+]
InChIInChI=1S/C6H13O3P.2Na/c1-2-3-4-5-6-9-10(7)8;;/h2-6H2,1H3;;/q-2;2*+1
InChIKeyYWWOEAPIMCBYBR-UHFFFAOYSA-N
MW210.12 g/mol
LogP-5.46
Rot. Bonds6

About disodium;hexyl phosphite

disodium;hexyl phosphite (PubChem CID 139691830) has the molecular formula C6H13Na2O3P and a molecular weight of 210.12 g/mol. Its IUPAC name is disodium;hexyl phosphite.

Molecular Properties

Compound Namedisodium;hexyl phosphite
PubChem CID139691830
Molecular FormulaC6H13Na2O3P
Molecular Weight210.12 g/mol
Exact Mass210.04
IUPAC Namedisodium;hexyl phosphite
SMILESCCCCCCOP([O-])[O-].[Na+].[Na+]
InChIInChI=1S/C6H13O3P.2Na/c1-2-3-4-5-6-9-10(7)8;;/h2-6H2,1H3;;/q-2;2*+1
InChIKeyYWWOEAPIMCBYBR-UHFFFAOYSA-N
XLogP-5.46
TPSA55.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.12
LogP ≤ 5-5.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

sodium didodecyl phosphite
CID 23710886
lithium dioctyl phosphite
CID 174541245
tetrakis(ditridecyl phosphite);titanium(4+)
CID 160640114
didecyl hydrogen phosphite
CID 14151265
triheptadecyl phosphite
CID 23435031
propyl tetradecyl hydrogen phosphite
CID 121403997
diethyl(hexoxy)phosphane
CID 87283104
chloro(didodecoxy)phosphane
CID 54405346
decoxy(octoxy)phosphinothious acid
CID 54152589
hexyl methyl hydrogen phosphite
CID 22731198
barium(2+);2-butoxyethyl phosphite
CID 88780891
sodium 1-oxidooxyoctane
CID 22094249

Frequently Asked Questions

What is the IUPAC name of disodium;hexyl phosphite?
The IUPAC name of disodium;hexyl phosphite (CID 139691830) is disodium;hexyl phosphite.
What is the SMILES notation for disodium;hexyl phosphite?
The canonical SMILES for disodium;hexyl phosphite is CCCCCCOP([O-])[O-].[Na+].[Na+].
What is the InChIKey of disodium;hexyl phosphite?
The InChIKey is YWWOEAPIMCBYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13O3P.2Na/c1-2-3-4-5-6-9-10(7)8;;/h2-6H2,1H3;;/q-2;2*+1.
What are the key properties of disodium;hexyl phosphite?
disodium;hexyl phosphite has a molecular weight of 210.12 g/mol, XLogP of -5.46, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;hexyl phosphite is sourced from PubChem (CID 139691830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).