2-[3-(cyclopentylmethyl)oxetan-3-yl]ethyl dihydrogen phosphate

C11H21O5P — CID 121460279

IUPAC2-[3-(cyclopentylmethyl)oxetan-3-yl]ethyl dihydrogen phosphate
SMILESO=P(O)(O)OCCC1(CC2CCCC2)COC1
InChIInChI=1S/C11H21O5P/c12-17(13,14)16-6-5-11(8-15-9-11)7-10-3-1-2-4-10/h10H,1-9H2,(H2,12,13,14)
InChIKeyAGNRYPPUXSXCSF-UHFFFAOYSA-N
MW264.26 g/mol
LogP2.08
Rot. Bonds6

About 2-[3-(cyclopentylmethyl)oxetan-3-yl]ethyl dihydrogen phosphate

2-[3-(cyclopentylmethyl)oxetan-3-yl]ethyl dihydrogen phosphate (PubChem CID 121460279) has the molecular formula C11H21O5P and a molecular weight of 264.26 g/mol. Its IUPAC name is 2-[3-(cyclopentylmethyl)oxetan-3-yl]ethyl dihydrogen phosphate.

Molecular Properties

Compound Name2-[3-(cyclopentylmethyl)oxetan-3-yl]ethyl dihydrogen phosphate
PubChem CID121460279
Molecular FormulaC11H21O5P
Molecular Weight264.26 g/mol
Exact Mass264.11
IUPAC Name2-[3-(cyclopentylmethyl)oxetan-3-yl]ethyl dihydrogen phosphate
SMILESO=P(O)(O)OCCC1(CC2CCCC2)COC1
InChIInChI=1S/C11H21O5P/c12-17(13,14)16-6-5-11(8-15-9-11)7-10-3-1-2-4-10/h10H,1-9H2,(H2,12,13,14)
InChIKeyAGNRYPPUXSXCSF-UHFFFAOYSA-N
XLogP2.08
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[3-(cyclopentylmethyl)oxetan-3-yl]methanamine
CID 116930584
[3-(cyclohexylmethyl)oxetan-3-yl]methanamine
CID 116930585
17-cyclopentylheptadecyl dihydrogen phosphate
CID 19374057
cyclohexylmethyl dihydrogen phosphate
CID 14982025
2-(cyclopentylmethylsulfonyl)ethyl dihydrogen phosphate
CID 11300242
[3-(cyclohexylmethyl)oxolan-3-yl]methanol
CID 66060066
[3-(cyclobutylmethyl)oxolan-3-yl]methanol
CID 130135661
2-(dicyclohexylamino)ethyl dihydrogen phosphate
CID 90860434
[3-[(cyclopentylmethylamino)methyl]oxetan-3-yl]methanol
CID 115249002
2-cyanoethyl dihydrogen phosphate;cyclohexanamine
CID 170844693
[1-(cyclopentylmethyl)cyclopropyl]methanamine
CID 66024631
[3-[(cyclobutylmethylamino)methyl]oxetan-3-yl]methanol
CID 115249008

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclopentylmethyl)oxetan-3-yl]ethyl dihydrogen phosphate?
The IUPAC name of 2-[3-(cyclopentylmethyl)oxetan-3-yl]ethyl dihydrogen phosphate (CID 121460279) is 2-[3-(cyclopentylmethyl)oxetan-3-yl]ethyl dihydrogen phosphate.
What is the SMILES notation for 2-[3-(cyclopentylmethyl)oxetan-3-yl]ethyl dihydrogen phosphate?
The canonical SMILES for 2-[3-(cyclopentylmethyl)oxetan-3-yl]ethyl dihydrogen phosphate is O=P(O)(O)OCCC1(CC2CCCC2)COC1.
What is the InChIKey of 2-[3-(cyclopentylmethyl)oxetan-3-yl]ethyl dihydrogen phosphate?
The InChIKey is AGNRYPPUXSXCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21O5P/c12-17(13,14)16-6-5-11(8-15-9-11)7-10-3-1-2-4-10/h10H,1-9H2,(H2,12,13,14).
What are the key properties of 2-[3-(cyclopentylmethyl)oxetan-3-yl]ethyl dihydrogen phosphate?
2-[3-(cyclopentylmethyl)oxetan-3-yl]ethyl dihydrogen phosphate has a molecular weight of 264.26 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclopentylmethyl)oxetan-3-yl]ethyl dihydrogen phosphate is sourced from PubChem (CID 121460279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).