2,2-bis(hydroxymethyl)propane-1,3-diol;tetradecyl dihydrogen phosphite

C19H43O7P — CID 175158559

IUPAC2,2-bis(hydroxymethyl)propane-1,3-diol;tetradecyl dihydrogen phosphite
SMILESCCCCCCCCCCCCCCOP(O)O.OCC(CO)(CO)CO
InChIInChI=1S/C14H31O3P.C5H12O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-18(15)16;6-1-5(2-7,3-8)4-9/h15-16H,2-14H2,1H3;6-9H,1-4H2
InChIKeyPKCWSERWDDQOJB-UHFFFAOYSA-N
MW414.52 g/mol
LogP2.86
Rot. Bonds18

About 2,2-bis(hydroxymethyl)propane-1,3-diol;tetradecyl dihydrogen phosphite

2,2-bis(hydroxymethyl)propane-1,3-diol;tetradecyl dihydrogen phosphite (PubChem CID 175158559) has the molecular formula C19H43O7P and a molecular weight of 414.52 g/mol. Its IUPAC name is 2,2-bis(hydroxymethyl)propane-1,3-diol;tetradecyl dihydrogen phosphite.

Molecular Properties

Compound Name2,2-bis(hydroxymethyl)propane-1,3-diol;tetradecyl dihydrogen phosphite
PubChem CID175158559
Molecular FormulaC19H43O7P
Molecular Weight414.52 g/mol
Exact Mass414.27
IUPAC Name2,2-bis(hydroxymethyl)propane-1,3-diol;tetradecyl dihydrogen phosphite
SMILESCCCCCCCCCCCCCCOP(O)O.OCC(CO)(CO)CO
InChIInChI=1S/C14H31O3P.C5H12O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-18(15)16;6-1-5(2-7,3-8)4-9/h15-16H,2-14H2,1H3;6-9H,1-4H2
InChIKeyPKCWSERWDDQOJB-UHFFFAOYSA-N
XLogP2.86
TPSA130.61 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.52
LogP ≤ 52.86
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

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

azane;hexyl dihydrogen phosphite
CID 173357133
pentyl dihydrogen phosphite;zinc
CID 88839337
didecyl hydrogen phosphite
CID 14151265
2,2-bis(hydroxymethyl)propane-1,3-diol;decyl propanoate
CID 158250624
2-amino-2-(hydroxymethyl)propane-1,3-diol;nonyl dihydrogen phosphite;phenol
CID 67709823
4,4-bis(nonylsulfanyl)butyl dihydrogen phosphite
CID 54212091
4-hydroxybutyl tridecyl hydrogen phosphite
CID 154235409
2-(hydroxymethyl)-2-(tridecoxymethyl)propane-1,3-diol
CID 22035112
2,2-bis(hydroxymethyl)propane-1,3-diol;hexane-1,6-diol;2-(2-hydroxyethoxy)ethanol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;methanol;octadecan-1-ol
CID 157096786
propyl tetradecyl hydrogen phosphite
CID 121403997
pentadecoxyphosphonamidous acid
CID 149252404
2-decyl-2-(hydroxymethyl)propane-1,3-diol;phosphorous acid
CID 87965517

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(hydroxymethyl)propane-1,3-diol;tetradecyl dihydrogen phosphite?
The IUPAC name of 2,2-bis(hydroxymethyl)propane-1,3-diol;tetradecyl dihydrogen phosphite (CID 175158559) is 2,2-bis(hydroxymethyl)propane-1,3-diol;tetradecyl dihydrogen phosphite.
What is the SMILES notation for 2,2-bis(hydroxymethyl)propane-1,3-diol;tetradecyl dihydrogen phosphite?
The canonical SMILES for 2,2-bis(hydroxymethyl)propane-1,3-diol;tetradecyl dihydrogen phosphite is CCCCCCCCCCCCCCOP(O)O.OCC(CO)(CO)CO.
What is the InChIKey of 2,2-bis(hydroxymethyl)propane-1,3-diol;tetradecyl dihydrogen phosphite?
The InChIKey is PKCWSERWDDQOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31O3P.C5H12O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-18(15)16;6-1-5(2-7,3-8)4-9/h15-16H,2-14H2,1H3;6-9H,1-4H2.
What are the key properties of 2,2-bis(hydroxymethyl)propane-1,3-diol;tetradecyl dihydrogen phosphite?
2,2-bis(hydroxymethyl)propane-1,3-diol;tetradecyl dihydrogen phosphite has a molecular weight of 414.52 g/mol, XLogP of 2.86, 18 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(hydroxymethyl)propane-1,3-diol;tetradecyl dihydrogen phosphite is sourced from PubChem (CID 175158559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).