2-methyl-1-(2-methyl-1-phosphorosooxypentoxy)pentan-1-ol

C12H25O4P — CID 90116485

IUPAC2-methyl-1-(2-methyl-1-phosphorosooxypentoxy)pentan-1-ol
SMILESCCCC(C)C(O)OC(OP=O)C(C)CCC
InChIInChI=1S/C12H25O4P/c1-5-7-9(3)11(13)15-12(16-17-14)10(4)8-6-2/h9-13H,5-8H2,1-4H3
InChIKeyBAPBNFBVNYMWTH-UHFFFAOYSA-N
MW264.30 g/mol
LogP3.74
Rot. Bonds10

About 2-methyl-1-(2-methyl-1-phosphorosooxypentoxy)pentan-1-ol

2-methyl-1-(2-methyl-1-phosphorosooxypentoxy)pentan-1-ol (PubChem CID 90116485) has the molecular formula C12H25O4P and a molecular weight of 264.30 g/mol. Its IUPAC name is 2-methyl-1-(2-methyl-1-phosphorosooxypentoxy)pentan-1-ol.

Molecular Properties

Compound Name2-methyl-1-(2-methyl-1-phosphorosooxypentoxy)pentan-1-ol
PubChem CID90116485
Molecular FormulaC12H25O4P
Molecular Weight264.30 g/mol
Exact Mass264.15
IUPAC Name2-methyl-1-(2-methyl-1-phosphorosooxypentoxy)pentan-1-ol
SMILESCCCC(C)C(O)OC(OP=O)C(C)CCC
InChIInChI=1S/C12H25O4P/c1-5-7-9(3)11(13)15-12(16-17-14)10(4)8-6-2/h9-13H,5-8H2,1-4H3
InChIKeyBAPBNFBVNYMWTH-UHFFFAOYSA-N
XLogP3.74
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methyl-1-phosphorosooxypentoxy)pentan-1-ol?
The IUPAC name of 2-methyl-1-(2-methyl-1-phosphorosooxypentoxy)pentan-1-ol (CID 90116485) is 2-methyl-1-(2-methyl-1-phosphorosooxypentoxy)pentan-1-ol.
What is the SMILES notation for 2-methyl-1-(2-methyl-1-phosphorosooxypentoxy)pentan-1-ol?
The canonical SMILES for 2-methyl-1-(2-methyl-1-phosphorosooxypentoxy)pentan-1-ol is CCCC(C)C(O)OC(OP=O)C(C)CCC.
What is the InChIKey of 2-methyl-1-(2-methyl-1-phosphorosooxypentoxy)pentan-1-ol?
The InChIKey is BAPBNFBVNYMWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25O4P/c1-5-7-9(3)11(13)15-12(16-17-14)10(4)8-6-2/h9-13H,5-8H2,1-4H3.
What are the key properties of 2-methyl-1-(2-methyl-1-phosphorosooxypentoxy)pentan-1-ol?
2-methyl-1-(2-methyl-1-phosphorosooxypentoxy)pentan-1-ol has a molecular weight of 264.30 g/mol, XLogP of 3.74, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methyl-1-phosphorosooxypentoxy)pentan-1-ol is sourced from PubChem (CID 90116485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).