3-[amino(pentan-3-yloxy)phosphoryl]oxy-4-ethyl-3-methylhexane

C14H32NO3P — CID 166704152

IUPAC3-[amino(pentan-3-yloxy)phosphoryl]oxy-4-ethyl-3-methylhexane
SMILESCCC(CC)OP(N)(=O)OC(C)(CC)C(CC)CC
InChIInChI=1S/C14H32NO3P/c1-7-12(8-2)14(6,11-5)18-19(15,16)17-13(9-3)10-4/h12-13H,7-11H2,1-6H3,(H2,15,16)
InChIKeyQCRLDAMDJWKMFM-UHFFFAOYSA-N
MW293.39 g/mol
LogP4.88
Rot. Bonds10

About 3-[amino(pentan-3-yloxy)phosphoryl]oxy-4-ethyl-3-methylhexane

3-[amino(pentan-3-yloxy)phosphoryl]oxy-4-ethyl-3-methylhexane (PubChem CID 166704152) has the molecular formula C14H32NO3P and a molecular weight of 293.39 g/mol. Its IUPAC name is 3-[amino(pentan-3-yloxy)phosphoryl]oxy-4-ethyl-3-methylhexane.

Molecular Properties

Compound Name3-[amino(pentan-3-yloxy)phosphoryl]oxy-4-ethyl-3-methylhexane
PubChem CID166704152
Molecular FormulaC14H32NO3P
Molecular Weight293.39 g/mol
Exact Mass293.21
IUPAC Name3-[amino(pentan-3-yloxy)phosphoryl]oxy-4-ethyl-3-methylhexane
SMILESCCC(CC)OP(N)(=O)OC(C)(CC)C(CC)CC
InChIInChI=1S/C14H32NO3P/c1-7-12(8-2)14(6,11-5)18-19(15,16)17-13(9-3)10-4/h12-13H,7-11H2,1-6H3,(H2,15,16)
InChIKeyQCRLDAMDJWKMFM-UHFFFAOYSA-N
XLogP4.88
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

di(pentan-3-yloxy)phosphoryl dipentan-3-yl phosphate
CID 22497722
8-[amino(butoxy)phosphoryl]oxy-1-[amino(pentan-3-yloxy)phosphoryl]oxynonane
CID 178039974
trihexan-3-yl phosphate
CID 22497582
ditert-butyl 1-chloropropyl phosphate
CID 140959745
trioctan-3-yl phosphate
CID 22497520
pentan-3-yl propyl hydrogen phosphate
CID 151314588
tributan-2-yl phosphate
CID 11482502
2,2-dimethylpropyl [(2R)-2-phosphonooxybutyl] carbonate
CID 177115561
ethoxy ethyl hexan-3-yloxy phosphate
CID 155756142
2-[2-[2-[2-[2-[2-[hydroxy(pentan-3-yloxy)phosphoryl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl propyl hydrogen phosphate
CID 134318658
3-[ethoxy(ethyl)phosphoryl]oxy-2,2-dimethylbutane
CID 170850874
tris[(3S,4R)-1-amino-2,3,4-trihydroxyhexyl] phosphate
CID 139033864

Frequently Asked Questions

What is the IUPAC name of 3-[amino(pentan-3-yloxy)phosphoryl]oxy-4-ethyl-3-methylhexane?
The IUPAC name of 3-[amino(pentan-3-yloxy)phosphoryl]oxy-4-ethyl-3-methylhexane (CID 166704152) is 3-[amino(pentan-3-yloxy)phosphoryl]oxy-4-ethyl-3-methylhexane.
What is the SMILES notation for 3-[amino(pentan-3-yloxy)phosphoryl]oxy-4-ethyl-3-methylhexane?
The canonical SMILES for 3-[amino(pentan-3-yloxy)phosphoryl]oxy-4-ethyl-3-methylhexane is CCC(CC)OP(N)(=O)OC(C)(CC)C(CC)CC.
What is the InChIKey of 3-[amino(pentan-3-yloxy)phosphoryl]oxy-4-ethyl-3-methylhexane?
The InChIKey is QCRLDAMDJWKMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32NO3P/c1-7-12(8-2)14(6,11-5)18-19(15,16)17-13(9-3)10-4/h12-13H,7-11H2,1-6H3,(H2,15,16).
What are the key properties of 3-[amino(pentan-3-yloxy)phosphoryl]oxy-4-ethyl-3-methylhexane?
3-[amino(pentan-3-yloxy)phosphoryl]oxy-4-ethyl-3-methylhexane has a molecular weight of 293.39 g/mol, XLogP of 4.88, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino(pentan-3-yloxy)phosphoryl]oxy-4-ethyl-3-methylhexane is sourced from PubChem (CID 166704152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).