2-hydroxydodecyl dimethyl phosphate

C14H31O5P — CID 10018272

IUPAC2-hydroxydodecyl dimethyl phosphate
SMILESCCCCCCCCCCC(O)COP(=O)(OC)OC
InChIInChI=1S/C14H31O5P/c1-4-5-6-7-8-9-10-11-12-14(15)13-19-20(16,17-2)18-3/h14-15H,4-13H2,1-3H3
InChIKeyCZIIXABAQUHFFY-UHFFFAOYSA-N
MW310.37 g/mol
LogP4.30
Rot. Bonds14

About 2-hydroxydodecyl dimethyl phosphate

2-hydroxydodecyl dimethyl phosphate (PubChem CID 10018272) has the molecular formula C14H31O5P and a molecular weight of 310.37 g/mol. Its IUPAC name is 2-hydroxydodecyl dimethyl phosphate.

Molecular Properties

Compound Name2-hydroxydodecyl dimethyl phosphate
PubChem CID10018272
Molecular FormulaC14H31O5P
Molecular Weight310.37 g/mol
Exact Mass310.19
IUPAC Name2-hydroxydodecyl dimethyl phosphate
SMILESCCCCCCCCCCC(O)COP(=O)(OC)OC
InChIInChI=1S/C14H31O5P/c1-4-5-6-7-8-9-10-11-12-14(15)13-19-20(16,17-2)18-3/h14-15H,4-13H2,1-3H3
InChIKeyCZIIXABAQUHFFY-UHFFFAOYSA-N
XLogP4.30
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

[(2R)-3-dimethoxyphosphoryloxy-2-hydroxypropyl] hexadecanoate
CID 66572937
1-dimethoxyphosphoryltridecan-2-ol
CID 15584231
1-dimethoxyphosphoryltridecan-3-ol
CID 10425403
2,3-dihydroxypropyl dihydrogen phosphate;pentadecane-1,2-diol
CID 88646758
2,3-dihydroxypropyl methyl 5-oxodocosyl phosphate
CID 167279667
1-diethoxyphosphoryldodecan-2-ol
CID 10448817
1-[2-(2-methoxyethoxy)ethoxy]octan-2-ol
CID 150741605
1-[2-(2-hydroxydodecoxy)ethoxy]dodecan-2-ol
CID 11796902
(7R)-hexatriacontan-7-ol
CID 88529159
nonacosane-7,20-diol
CID 174949468
icosan-9-ol
CID 11983377
tetratetracontan-22-ol
CID 91434437

Frequently Asked Questions

What is the IUPAC name of 2-hydroxydodecyl dimethyl phosphate?
The IUPAC name of 2-hydroxydodecyl dimethyl phosphate (CID 10018272) is 2-hydroxydodecyl dimethyl phosphate.
What is the SMILES notation for 2-hydroxydodecyl dimethyl phosphate?
The canonical SMILES for 2-hydroxydodecyl dimethyl phosphate is CCCCCCCCCCC(O)COP(=O)(OC)OC.
What is the InChIKey of 2-hydroxydodecyl dimethyl phosphate?
The InChIKey is CZIIXABAQUHFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31O5P/c1-4-5-6-7-8-9-10-11-12-14(15)13-19-20(16,17-2)18-3/h14-15H,4-13H2,1-3H3.
What are the key properties of 2-hydroxydodecyl dimethyl phosphate?
2-hydroxydodecyl dimethyl phosphate has a molecular weight of 310.37 g/mol, XLogP of 4.30, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxydodecyl dimethyl phosphate is sourced from PubChem (CID 10018272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).