6-methylnonan-4-yl dihydrogen phosphate

C10H23O4P — CID 152606222

IUPAC6-methylnonan-4-yl dihydrogen phosphate
SMILESCCCC(C)CC(CCC)OP(=O)(O)O
InChIInChI=1S/C10H23O4P/c1-4-6-9(3)8-10(7-5-2)14-15(11,12)13/h9-10H,4-8H2,1-3H3,(H2,11,12,13)
InChIKeyYYOJWPVCVJVZKE-UHFFFAOYSA-N
MW238.26 g/mol
LogP3.09
Rot. Bonds8

About 6-methylnonan-4-yl dihydrogen phosphate

6-methylnonan-4-yl dihydrogen phosphate (PubChem CID 152606222) has the molecular formula C10H23O4P and a molecular weight of 238.26 g/mol. Its IUPAC name is 6-methylnonan-4-yl dihydrogen phosphate.

Molecular Properties

Compound Name6-methylnonan-4-yl dihydrogen phosphate
PubChem CID152606222
Molecular FormulaC10H23O4P
Molecular Weight238.26 g/mol
Exact Mass238.13
IUPAC Name6-methylnonan-4-yl dihydrogen phosphate
SMILESCCCC(C)CC(CCC)OP(=O)(O)O
InChIInChI=1S/C10H23O4P/c1-4-6-9(3)8-10(7-5-2)14-15(11,12)13/h9-10H,4-8H2,1-3H3,(H2,11,12,13)
InChIKeyYYOJWPVCVJVZKE-UHFFFAOYSA-N
XLogP3.09
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methylnonan-4-yl dihydrogen phosphate?
The IUPAC name of 6-methylnonan-4-yl dihydrogen phosphate (CID 152606222) is 6-methylnonan-4-yl dihydrogen phosphate.
What is the SMILES notation for 6-methylnonan-4-yl dihydrogen phosphate?
The canonical SMILES for 6-methylnonan-4-yl dihydrogen phosphate is CCCC(C)CC(CCC)OP(=O)(O)O.
What is the InChIKey of 6-methylnonan-4-yl dihydrogen phosphate?
The InChIKey is YYOJWPVCVJVZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23O4P/c1-4-6-9(3)8-10(7-5-2)14-15(11,12)13/h9-10H,4-8H2,1-3H3,(H2,11,12,13).
What are the key properties of 6-methylnonan-4-yl dihydrogen phosphate?
6-methylnonan-4-yl dihydrogen phosphate has a molecular weight of 238.26 g/mol, XLogP of 3.09, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylnonan-4-yl dihydrogen phosphate is sourced from PubChem (CID 152606222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).