2-decyl-2-(hydroxymethyl)propane-1,3-diol;phosphorous acid

C14H33O6P — CID 87965517

IUPAC2-decyl-2-(hydroxymethyl)propane-1,3-diol;phosphorous acid
SMILESCCCCCCCCCCC(CO)(CO)CO.OP(O)O
InChIInChI=1S/C14H30O3.H3O3P/c1-2-3-4-5-6-7-8-9-10-14(11-15,12-16)13-17;1-4(2)3/h15-17H,2-13H2,1H3;1-3H
InChIKeyOTFKZRHUCLRBSP-UHFFFAOYSA-N
MW328.39 g/mol
LogP1.67
Rot. Bonds12

About 2-decyl-2-(hydroxymethyl)propane-1,3-diol;phosphorous acid

2-decyl-2-(hydroxymethyl)propane-1,3-diol;phosphorous acid (PubChem CID 87965517) has the molecular formula C14H33O6P and a molecular weight of 328.39 g/mol. Its IUPAC name is 2-decyl-2-(hydroxymethyl)propane-1,3-diol;phosphorous acid.

Molecular Properties

Compound Name2-decyl-2-(hydroxymethyl)propane-1,3-diol;phosphorous acid
PubChem CID87965517
Molecular FormulaC14H33O6P
Molecular Weight328.39 g/mol
Exact Mass328.20
IUPAC Name2-decyl-2-(hydroxymethyl)propane-1,3-diol;phosphorous acid
SMILESCCCCCCCCCCC(CO)(CO)CO.OP(O)O
InChIInChI=1S/C14H30O3.H3O3P/c1-2-3-4-5-6-7-8-9-10-14(11-15,12-16)13-17;1-4(2)3/h15-17H,2-13H2,1H3;1-3H
InChIKeyOTFKZRHUCLRBSP-UHFFFAOYSA-N
XLogP1.67
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.39
LogP ≤ 51.67
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-decyl-2-(hydroxymethyl)propane-1,3-diol;phosphorous acid 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

2,2-di(undecyl)tridecan-1-ol
CID 176610401
2,2-dioctyldecan-1-ol
CID 87374856
2,6-didodecyl-2,6-bis(hydroxymethyl)heptane-1,7-diol
CID 142452979
2-pentyl-2-propylpropane-1,3-diol
CID 18188395
2-(aminomethyl)-2-tetradecylpropane-1,3-diol
CID 139977748
7-hexylhexadecan-7-ol
CID 141253911
9-octyloctadecan-9-ol
CID 150674168
7-pentylpentadecan-7-ol
CID 12913436
6,6-dipentylpentadecane
CID 152650171
19-hexadecyl-19-nonylnonatriacontane
CID 90913331
8-hexyl-8-pentylhexadecane
CID 521602
9,9-dioctyloctadecane
CID 19690418

Frequently Asked Questions

What is the IUPAC name of 2-decyl-2-(hydroxymethyl)propane-1,3-diol;phosphorous acid?
The IUPAC name of 2-decyl-2-(hydroxymethyl)propane-1,3-diol;phosphorous acid (CID 87965517) is 2-decyl-2-(hydroxymethyl)propane-1,3-diol;phosphorous acid.
What is the SMILES notation for 2-decyl-2-(hydroxymethyl)propane-1,3-diol;phosphorous acid?
The canonical SMILES for 2-decyl-2-(hydroxymethyl)propane-1,3-diol;phosphorous acid is CCCCCCCCCCC(CO)(CO)CO.OP(O)O.
What is the InChIKey of 2-decyl-2-(hydroxymethyl)propane-1,3-diol;phosphorous acid?
The InChIKey is OTFKZRHUCLRBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O3.H3O3P/c1-2-3-4-5-6-7-8-9-10-14(11-15,12-16)13-17;1-4(2)3/h15-17H,2-13H2,1H3;1-3H.
What are the key properties of 2-decyl-2-(hydroxymethyl)propane-1,3-diol;phosphorous acid?
2-decyl-2-(hydroxymethyl)propane-1,3-diol;phosphorous acid has a molecular weight of 328.39 g/mol, XLogP of 1.67, 12 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-decyl-2-(hydroxymethyl)propane-1,3-diol;phosphorous acid is sourced from PubChem (CID 87965517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).