propan-2-yl 9-propan-2-yloxynonyl hydrogen phosphate

C15H33O5P — CID 90328876

IUPACpropan-2-yl 9-propan-2-yloxynonyl hydrogen phosphate
SMILESCC(C)OCCCCCCCCCOP(=O)(O)OC(C)C
InChIInChI=1S/C15H33O5P/c1-14(2)18-12-10-8-6-5-7-9-11-13-19-21(16,17)20-15(3)4/h14-15H,5-13H2,1-4H3,(H,16,17)
InChIKeyWRCGSTPAYJYWOQ-UHFFFAOYSA-N
MW324.40 g/mol
LogP4.68
Rot. Bonds14

About propan-2-yl 9-propan-2-yloxynonyl hydrogen phosphate

propan-2-yl 9-propan-2-yloxynonyl hydrogen phosphate (PubChem CID 90328876) has the molecular formula C15H33O5P and a molecular weight of 324.40 g/mol. Its IUPAC name is propan-2-yl 9-propan-2-yloxynonyl hydrogen phosphate.

Molecular Properties

Compound Namepropan-2-yl 9-propan-2-yloxynonyl hydrogen phosphate
PubChem CID90328876
Molecular FormulaC15H33O5P
Molecular Weight324.40 g/mol
Exact Mass324.21
IUPAC Namepropan-2-yl 9-propan-2-yloxynonyl hydrogen phosphate
SMILESCC(C)OCCCCCCCCCOP(=O)(O)OC(C)C
InChIInChI=1S/C15H33O5P/c1-14(2)18-12-10-8-6-5-7-9-11-13-19-21(16,17)20-15(3)4/h14-15H,5-13H2,1-4H3,(H,16,17)
InChIKeyWRCGSTPAYJYWOQ-UHFFFAOYSA-N
XLogP4.68
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

6-[hexadecoxy(hydroxy)phosphoryl]oxyhexyl propan-2-yl hydrogen phosphate
CID 153443822
propan-2-yl 2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl hydrogen phosphate
CID 168833294
hexadecoxy-dihydroxy-[6-[hydroxy(propan-2-yloxy)phosphoryl]oxyhexoxy]phosphanium
CID 153443823
methyl 3-propan-2-yloxypropyl hydrogen phosphate
CID 89017051
methyl(9-propan-2-yloxynonoxy)phosphinate
CID 140649325
1,6-di(propan-2-yloxy)hexane
CID 10899702
bis(20-methylhenicosyl) hydrogen phosphate
CID 141458391
bis(12-methyltridecyl) hydrogen phosphate
CID 141458390
(4-methoxy-3-methylbutyl) propan-2-yl hydrogen phosphate
CID 129147562
2-[hydroxy(propan-2-yloxy)phosphoryl]oxyethyl-dimethyl-propan-2-ylazanium
CID 155766204
[hydroxy(6-methylheptoxy)phosphoryl] 6-methylheptyl hydrogen phosphate
CID 534663
nonan-5-yl octadecyl hydrogen phosphate
CID 89345208

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 9-propan-2-yloxynonyl hydrogen phosphate?
The IUPAC name of propan-2-yl 9-propan-2-yloxynonyl hydrogen phosphate (CID 90328876) is propan-2-yl 9-propan-2-yloxynonyl hydrogen phosphate.
What is the SMILES notation for propan-2-yl 9-propan-2-yloxynonyl hydrogen phosphate?
The canonical SMILES for propan-2-yl 9-propan-2-yloxynonyl hydrogen phosphate is CC(C)OCCCCCCCCCOP(=O)(O)OC(C)C.
What is the InChIKey of propan-2-yl 9-propan-2-yloxynonyl hydrogen phosphate?
The InChIKey is WRCGSTPAYJYWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33O5P/c1-14(2)18-12-10-8-6-5-7-9-11-13-19-21(16,17)20-15(3)4/h14-15H,5-13H2,1-4H3,(H,16,17).
What are the key properties of propan-2-yl 9-propan-2-yloxynonyl hydrogen phosphate?
propan-2-yl 9-propan-2-yloxynonyl hydrogen phosphate has a molecular weight of 324.40 g/mol, XLogP of 4.68, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 9-propan-2-yloxynonyl hydrogen phosphate is sourced from PubChem (CID 90328876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).