3-hydroxypropyl dimethyl phosphate

C5H13O5P — CID 14840641

IUPAC3-hydroxypropyl dimethyl phosphate
SMILESCOP(=O)(OC)OCCCO
InChIInChI=1S/C5H13O5P/c1-8-11(7,9-2)10-5-3-4-6/h6H,3-5H2,1-2H3
InChIKeyZWGSXIDHYSLQGT-UHFFFAOYSA-N
MW184.13 g/mol
LogP0.79
Rot. Bonds6

About 3-hydroxypropyl dimethyl phosphate

3-hydroxypropyl dimethyl phosphate (PubChem CID 14840641) has the molecular formula C5H13O5P and a molecular weight of 184.13 g/mol. Its IUPAC name is 3-hydroxypropyl dimethyl phosphate.

Molecular Properties

Compound Name3-hydroxypropyl dimethyl phosphate
PubChem CID14840641
Molecular FormulaC5H13O5P
Molecular Weight184.13 g/mol
Exact Mass184.05
IUPAC Name3-hydroxypropyl dimethyl phosphate
SMILESCOP(=O)(OC)OCCCO
InChIInChI=1S/C5H13O5P/c1-8-11(7,9-2)10-5-3-4-6/h6H,3-5H2,1-2H3
InChIKeyZWGSXIDHYSLQGT-UHFFFAOYSA-N
XLogP0.79
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.13
LogP ≤ 50.79
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

Dipropyl phosphate
CID 74544
Diethyl phosphonomethanol
CID 76513
1,3-Propanediol, 1-(dihydrogen phosphate)
CID 151809
Phosphoric acid, butyl ester
CID 3033844
CID 49867457
CID 49867457
Dimethyl 1-hydroxybutylphosphonate
CID 573521
2,2-Dimethyl-1,3-propanediol phosphate
CID 21409654
(2R)-2,3-dihydroxypropyl ethyl hydrogen (S)-phosphate
CID 101063005
Diethyl (1-hydroxypropyl)phosphonate
CID 11019775
Diethyl (3-hydroxypropyl)phosphonate
CID 12594218
[(2S)-2,3-dihydroxypropyl] ethyl hydrogen phosphate
CID 117835534
1-Dimethoxyphosphorylpropan-1-ol
CID 12495975

Frequently Asked Questions

What is the IUPAC name of 3-hydroxypropyl dimethyl phosphate?
The IUPAC name of 3-hydroxypropyl dimethyl phosphate (CID 14840641) is 3-hydroxypropyl dimethyl phosphate.
What is the SMILES notation for 3-hydroxypropyl dimethyl phosphate?
The canonical SMILES for 3-hydroxypropyl dimethyl phosphate is COP(=O)(OC)OCCCO.
What is the InChIKey of 3-hydroxypropyl dimethyl phosphate?
The InChIKey is ZWGSXIDHYSLQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13O5P/c1-8-11(7,9-2)10-5-3-4-6/h6H,3-5H2,1-2H3.
What are the key properties of 3-hydroxypropyl dimethyl phosphate?
3-hydroxypropyl dimethyl phosphate has a molecular weight of 184.13 g/mol, XLogP of 0.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxypropyl dimethyl phosphate is sourced from PubChem (CID 14840641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).