CID 11656837

C28H56N2O6P — CID 11656837

IUPAC—
SMILESCCCCCCC1(CCCCCCCCCCCOP(=O)(O)OC2CCN(C)CC2)OCC(C)(C)N1[O]
InChIInChI=1S/C28H56N2O6P/c1-5-6-7-15-20-28(30(31)27(2,3)25-34-28)21-16-13-11-9-8-10-12-14-17-24-35-37(32,33)36-26-18-22-29(4)23-19-26/h26H,5-25H2,1-4H3,(H,32,33)
InChIKeyWDQICBUHIIYUAK-UHFFFAOYSA-N
MW547.74 g/mol
LogP7.24
Rot. Bonds20

About CID 11656837

CID 11656837 (PubChem CID 11656837) has the molecular formula C28H56N2O6P and a molecular weight of 547.74 g/mol.

Molecular Properties

Compound NameCID 11656837
PubChem CID11656837
Molecular FormulaC28H56N2O6P
Molecular Weight547.74 g/mol
Exact Mass547.39
IUPAC Name—
SMILESCCCCCCC1(CCCCCCCCCCCOP(=O)(O)OC2CCN(C)CC2)OCC(C)(C)N1[O]
InChIInChI=1S/C28H56N2O6P/c1-5-6-7-15-20-28(30(31)27(2,3)25-34-28)21-16-13-11-9-8-10-12-14-17-24-35-37(32,33)36-26-18-22-29(4)23-19-26/h26H,5-25H2,1-4H3,(H,32,33)
InChIKeyWDQICBUHIIYUAK-UHFFFAOYSA-N
XLogP7.24
TPSA91.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.74
LogP ≤ 57.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

CID 11699445
CID 11699445
octadecyl (1-propylpiperidin-4-yl) hydrogen phosphate
CID 143491119
cyclohexyl nonyl hydrogen phosphate
CID 163645473
CID 11361528
CID 11361528
dodecyl dihydrogen phosphate;1-methylpiperidine
CID 174903900
(1-ethyl-1-methylpiperidin-1-ium-4-yl) octadecyl hydrogen phosphate
CID 45268816
decyl propyl hydrogen phosphate
CID 87587050
decyl dodecyl hydrogen phosphate
CID 20810618
hexyl nonyl hydrogen phosphate
CID 23169649
hexadecyl hexyl hydrogen phosphate
CID 15132676
CID 10530650
CID 10530650
1,3-dioxetan-2-yl pentyl hydrogen phosphate
CID 70128464

Frequently Asked Questions

What is the IUPAC name of CID 11656837?
The IUPAC name of CID 11656837 (CID 11656837) is not available.
What is the SMILES notation for CID 11656837?
The canonical SMILES for CID 11656837 is CCCCCCC1(CCCCCCCCCCCOP(=O)(O)OC2CCN(C)CC2)OCC(C)(C)N1[O].
What is the InChIKey of CID 11656837?
The InChIKey is WDQICBUHIIYUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H56N2O6P/c1-5-6-7-15-20-28(30(31)27(2,3)25-34-28)21-16-13-11-9-8-10-12-14-17-24-35-37(32,33)36-26-18-22-29(4)23-19-26/h26H,5-25H2,1-4H3,(H,32,33).
What are the key properties of CID 11656837?
CID 11656837 has a molecular weight of 547.74 g/mol, XLogP of 7.24, 20 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11656837 is sourced from PubChem (CID 11656837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).