azane;6-butyldecan-5-yl dihydrogen phosphate

C14H34NO4P — CID 88652298

IUPACazane;6-butyldecan-5-yl dihydrogen phosphate
SMILESCCCCC(CCCC)C(CCCC)OP(=O)(O)O.N
InChIInChI=1S/C14H31O4P.H3N/c1-4-7-10-13(11-8-5-2)14(12-9-6-3)18-19(15,16)17;/h13-14H,4-12H2,1-3H3,(H2,15,16,17);1H3
InChIKeyZKEKBOAQSUPXOG-UHFFFAOYSA-N
MW311.40 g/mol
LogP4.81
Rot. Bonds12

About azane;6-butyldecan-5-yl dihydrogen phosphate

azane;6-butyldecan-5-yl dihydrogen phosphate (PubChem CID 88652298) has the molecular formula C14H34NO4P and a molecular weight of 311.40 g/mol. Its IUPAC name is azane;6-butyldecan-5-yl dihydrogen phosphate.

Molecular Properties

Compound Nameazane;6-butyldecan-5-yl dihydrogen phosphate
PubChem CID88652298
Molecular FormulaC14H34NO4P
Molecular Weight311.40 g/mol
Exact Mass311.22
IUPAC Nameazane;6-butyldecan-5-yl dihydrogen phosphate
SMILESCCCCC(CCCC)C(CCCC)OP(=O)(O)O.N
InChIInChI=1S/C14H31O4P.H3N/c1-4-7-10-13(11-8-5-2)14(12-9-6-3)18-19(15,16)17;/h13-14H,4-12H2,1-3H3,(H2,15,16,17);1H3
InChIKeyZKEKBOAQSUPXOG-UHFFFAOYSA-N
XLogP4.81
TPSA101.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 54.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(hydroxymethyl)octan-4-yl dihydrogen phosphate
CID 87707822
azane;decan-5-yl dihydrogen phosphate
CID 88685768
2,2-dimethylheptan-3-yl dihydrogen phosphate
CID 151613956
dotriacontan-16-yl dihydrogen phosphate
CID 87532136
pentadecan-6-yl dihydrogen phosphate
CID 22719349
(1-amino-1-oxohexan-2-yl) dihydrogen phosphate
CID 141187806
10-hydroxy-9-phosphonooxyoctadecanoic acid
CID 74089767
heptan-4-yl dihydrogen phosphate
CID 18763997
copper;octan-3-yl dihydrogen phosphate
CID 174493101
henicosan-4-yl dihydrogen phosphate
CID 175269897
potassium;hydride;tetratriacontan-17-yl dihydrogen phosphate
CID 173113859
trimethyl(2-phosphonooxyoctyl)azanium
CID 87551003

Frequently Asked Questions

What is the IUPAC name of azane;6-butyldecan-5-yl dihydrogen phosphate?
The IUPAC name of azane;6-butyldecan-5-yl dihydrogen phosphate (CID 88652298) is azane;6-butyldecan-5-yl dihydrogen phosphate.
What is the SMILES notation for azane;6-butyldecan-5-yl dihydrogen phosphate?
The canonical SMILES for azane;6-butyldecan-5-yl dihydrogen phosphate is CCCCC(CCCC)C(CCCC)OP(=O)(O)O.N.
What is the InChIKey of azane;6-butyldecan-5-yl dihydrogen phosphate?
The InChIKey is ZKEKBOAQSUPXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31O4P.H3N/c1-4-7-10-13(11-8-5-2)14(12-9-6-3)18-19(15,16)17;/h13-14H,4-12H2,1-3H3,(H2,15,16,17);1H3.
What are the key properties of azane;6-butyldecan-5-yl dihydrogen phosphate?
azane;6-butyldecan-5-yl dihydrogen phosphate has a molecular weight of 311.40 g/mol, XLogP of 4.81, 12 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;6-butyldecan-5-yl dihydrogen phosphate is sourced from PubChem (CID 88652298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).