30-bromotriacontyl dihydrogen phosphate

C30H62BrO4P — CID 87684880

IUPAC30-bromotriacontyl dihydrogen phosphate
SMILESO=P(O)(O)OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCBr
InChIInChI=1S/C30H62BrO4P/c31-29-27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-35-36(32,33)34/h1-30H2,(H2,32,33,34)
InChIKeyNCMPHEAVBSCHQI-UHFFFAOYSA-N
MW597.70 g/mol
LogP11.41
Rot. Bonds31

About 30-bromotriacontyl dihydrogen phosphate

30-bromotriacontyl dihydrogen phosphate (PubChem CID 87684880) has the molecular formula C30H62BrO4P and a molecular weight of 597.70 g/mol. Its IUPAC name is 30-bromotriacontyl dihydrogen phosphate.

Molecular Properties

Compound Name30-bromotriacontyl dihydrogen phosphate
PubChem CID87684880
Molecular FormulaC30H62BrO4P
Molecular Weight597.70 g/mol
Exact Mass596.36
IUPAC Name30-bromotriacontyl dihydrogen phosphate
SMILESO=P(O)(O)OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCBr
InChIInChI=1S/C30H62BrO4P/c31-29-27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-35-36(32,33)34/h1-30H2,(H2,32,33,34)
InChIKeyNCMPHEAVBSCHQI-UHFFFAOYSA-N
XLogP11.41
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds31
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.70
LogP ≤ 511.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

azane;3-bromopropyl dihydrogen phosphate
CID 174914658
9-phosphonooxynonyl dihydrogen phosphate
CID 142711404
10-phosphonooxydecyl dihydrogen phosphate
CID 19764276
12-hydroxydodecyl dihydrogen phosphate
CID 24830904
8-hydroxyoctyl dihydrogen phosphate
CID 87681858
octatriacontyl dihydrogen phosphate
CID 140979287
25-iodopentacosyl dihydrogen phosphate
CID 87683330
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 30-bromotriacontyl dihydrogen phosphate?
The IUPAC name of 30-bromotriacontyl dihydrogen phosphate (CID 87684880) is 30-bromotriacontyl dihydrogen phosphate.
What is the SMILES notation for 30-bromotriacontyl dihydrogen phosphate?
The canonical SMILES for 30-bromotriacontyl dihydrogen phosphate is O=P(O)(O)OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCBr.
What is the InChIKey of 30-bromotriacontyl dihydrogen phosphate?
The InChIKey is NCMPHEAVBSCHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H62BrO4P/c31-29-27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-35-36(32,33)34/h1-30H2,(H2,32,33,34).
What are the key properties of 30-bromotriacontyl dihydrogen phosphate?
30-bromotriacontyl dihydrogen phosphate has a molecular weight of 597.70 g/mol, XLogP of 11.41, 31 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 30-bromotriacontyl dihydrogen phosphate is sourced from PubChem (CID 87684880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).