12-hydroxydodecyl dihydrogen phosphate

C12H27O5P — CID 24830904

IUPAC12-hydroxydodecyl dihydrogen phosphate
SMILESO=P(O)(O)OCCCCCCCCCCCCO
InChIInChI=1S/C12H27O5P/c13-11-9-7-5-3-1-2-4-6-8-10-12-17-18(14,15)16/h13H,1-12H2,(H2,14,15,16)
InChIKeyQDHWEQVVRFFGKU-UHFFFAOYSA-N
MW282.32 g/mol
LogP2.99
Rot. Bonds13

About 12-hydroxydodecyl dihydrogen phosphate

12-hydroxydodecyl dihydrogen phosphate (PubChem CID 24830904) has the molecular formula C12H27O5P and a molecular weight of 282.32 g/mol. Its IUPAC name is 12-hydroxydodecyl dihydrogen phosphate.

Molecular Properties

Compound Name12-hydroxydodecyl dihydrogen phosphate
PubChem CID24830904
Molecular FormulaC12H27O5P
Molecular Weight282.32 g/mol
Exact Mass282.16
IUPAC Name12-hydroxydodecyl dihydrogen phosphate
SMILESO=P(O)(O)OCCCCCCCCCCCCO
InChIInChI=1S/C12H27O5P/c13-11-9-7-5-3-1-2-4-6-8-10-12-17-18(14,15)16/h13H,1-12H2,(H2,14,15,16)
InChIKeyQDHWEQVVRFFGKU-UHFFFAOYSA-N
XLogP2.99
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 52.99
H-Bond Donors ≤ 53
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

8-hydroxyoctyl dihydrogen phosphate
CID 87681858
9-phosphonooxynonyl dihydrogen phosphate
CID 142711404
10-phosphonooxydecyl dihydrogen phosphate
CID 19764276
3-hydroxypropyl dihydrogen phosphate;phosphoric acid
CID 139534091
ethanol;hexadecyl dihydrogen phosphate
CID 174523308
30-bromotriacontyl dihydrogen phosphate
CID 87684880
pentatriacontyl dihydrogen phosphate
CID 164897229
15-aminopentadecyl dihydrogen phosphate
CID 87683192
30-aminotriacontyl dihydrogen phosphate
CID 87681380
13-chlorotridecyl dihydrogen phosphate
CID 87684789
25-chloropentacosyl dihydrogen phosphate
CID 87683690
38-aminooctatriacontyl dihydrogen phosphate
CID 87686318

Frequently Asked Questions

What is the IUPAC name of 12-hydroxydodecyl dihydrogen phosphate?
The IUPAC name of 12-hydroxydodecyl dihydrogen phosphate (CID 24830904) is 12-hydroxydodecyl dihydrogen phosphate.
What is the SMILES notation for 12-hydroxydodecyl dihydrogen phosphate?
The canonical SMILES for 12-hydroxydodecyl dihydrogen phosphate is O=P(O)(O)OCCCCCCCCCCCCO.
What is the InChIKey of 12-hydroxydodecyl dihydrogen phosphate?
The InChIKey is QDHWEQVVRFFGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27O5P/c13-11-9-7-5-3-1-2-4-6-8-10-12-17-18(14,15)16/h13H,1-12H2,(H2,14,15,16).
What are the key properties of 12-hydroxydodecyl dihydrogen phosphate?
12-hydroxydodecyl dihydrogen phosphate has a molecular weight of 282.32 g/mol, XLogP of 2.99, 13 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-hydroxydodecyl dihydrogen phosphate is sourced from PubChem (CID 24830904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).