2-aminoethanol;2,6,8-trimethylnonan-4-yl dihydrogen phosphate

C14H34NO5P — CID 174547407

IUPAC2-aminoethanol;2,6,8-trimethylnonan-4-yl dihydrogen phosphate
SMILESCC(C)CC(C)CC(CC(C)C)OP(=O)(O)O.NCCO
InChIInChI=1S/C12H27O4P.C2H7NO/c1-9(2)6-11(5)8-12(7-10(3)4)16-17(13,14)15;3-1-2-4/h9-12H,6-8H2,1-5H3,(H2,13,14,15);4H,1-3H2
InChIKeyVFUFADOHKDOCSM-UHFFFAOYSA-N
MW327.40 g/mol
LogP2.52
Rot. Bonds9

About 2-aminoethanol;2,6,8-trimethylnonan-4-yl dihydrogen phosphate

2-aminoethanol;2,6,8-trimethylnonan-4-yl dihydrogen phosphate (PubChem CID 174547407) has the molecular formula C14H34NO5P and a molecular weight of 327.40 g/mol. Its IUPAC name is 2-aminoethanol;2,6,8-trimethylnonan-4-yl dihydrogen phosphate.

Molecular Properties

Compound Name2-aminoethanol;2,6,8-trimethylnonan-4-yl dihydrogen phosphate
PubChem CID174547407
Molecular FormulaC14H34NO5P
Molecular Weight327.40 g/mol
Exact Mass327.22
IUPAC Name2-aminoethanol;2,6,8-trimethylnonan-4-yl dihydrogen phosphate
SMILESCC(C)CC(C)CC(CC(C)C)OP(=O)(O)O.NCCO
InChIInChI=1S/C12H27O4P.C2H7NO/c1-9(2)6-11(5)8-12(7-10(3)4)16-17(13,14)15;3-1-2-4/h9-12H,6-8H2,1-5H3,(H2,13,14,15);4H,1-3H2
InChIKeyVFUFADOHKDOCSM-UHFFFAOYSA-N
XLogP2.52
TPSA113.01 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 52.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-aminoethanol;2,6,8-trimethylnonan-4-yl dihydrogen phosphate?
The IUPAC name of 2-aminoethanol;2,6,8-trimethylnonan-4-yl dihydrogen phosphate (CID 174547407) is 2-aminoethanol;2,6,8-trimethylnonan-4-yl dihydrogen phosphate.
What is the SMILES notation for 2-aminoethanol;2,6,8-trimethylnonan-4-yl dihydrogen phosphate?
The canonical SMILES for 2-aminoethanol;2,6,8-trimethylnonan-4-yl dihydrogen phosphate is CC(C)CC(C)CC(CC(C)C)OP(=O)(O)O.NCCO.
What is the InChIKey of 2-aminoethanol;2,6,8-trimethylnonan-4-yl dihydrogen phosphate?
The InChIKey is VFUFADOHKDOCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27O4P.C2H7NO/c1-9(2)6-11(5)8-12(7-10(3)4)16-17(13,14)15;3-1-2-4/h9-12H,6-8H2,1-5H3,(H2,13,14,15);4H,1-3H2.
What are the key properties of 2-aminoethanol;2,6,8-trimethylnonan-4-yl dihydrogen phosphate?
2-aminoethanol;2,6,8-trimethylnonan-4-yl dihydrogen phosphate has a molecular weight of 327.40 g/mol, XLogP of 2.52, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethanol;2,6,8-trimethylnonan-4-yl dihydrogen phosphate is sourced from PubChem (CID 174547407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).