[[(3R)-2-(butoxymethyl)oxolan-3-yl]oxy-pentylphosphoryl]-dimethylborane

C16H34BO4P — CID 174118385

IUPAC[[(3R)-2-(butoxymethyl)oxolan-3-yl]oxy-pentylphosphoryl]-dimethylborane
SMILESCCCCCP(=O)(O[C@@H]1CCOC1COCCCC)B(C)C
InChIInChI=1S/C16H34BO4P/c1-5-7-9-13-22(18,17(3)4)21-15-10-12-20-16(15)14-19-11-8-6-2/h15-16H,5-14H2,1-4H3/t15-,16?,22?/m1/s1
InChIKeyRBDQTQIKUDMXLM-HOKUHMFPSA-N
MW332.23 g/mol
LogP4.70
Rot. Bonds12

About [[(3R)-2-(butoxymethyl)oxolan-3-yl]oxy-pentylphosphoryl]-dimethylborane

[[(3R)-2-(butoxymethyl)oxolan-3-yl]oxy-pentylphosphoryl]-dimethylborane (PubChem CID 174118385) has the molecular formula C16H34BO4P and a molecular weight of 332.23 g/mol. Its IUPAC name is [[(3R)-2-(butoxymethyl)oxolan-3-yl]oxy-pentylphosphoryl]-dimethylborane.

Molecular Properties

Compound Name[[(3R)-2-(butoxymethyl)oxolan-3-yl]oxy-pentylphosphoryl]-dimethylborane
PubChem CID174118385
Molecular FormulaC16H34BO4P
Molecular Weight332.23 g/mol
Exact Mass332.23
IUPAC Name[[(3R)-2-(butoxymethyl)oxolan-3-yl]oxy-pentylphosphoryl]-dimethylborane
SMILESCCCCCP(=O)(O[C@@H]1CCOC1COCCCC)B(C)C
InChIInChI=1S/C16H34BO4P/c1-5-7-9-13-22(18,17(3)4)21-15-10-12-20-16(15)14-19-11-8-6-2/h15-16H,5-14H2,1-4H3/t15-,16?,22?/m1/s1
InChIKeyRBDQTQIKUDMXLM-HOKUHMFPSA-N
XLogP4.70
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.23
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R)-2-(butoxymethyl)oxolane-3-carbaldehyde
CID 171770434
hentetracontyl [(2R)-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate
CID 155649833
[(2S,3R)-2-(hexadecoxymethyl)oxan-3-yl] 2-pyridin-1-ium-1-ylethyl hydrogen phosphate
CID 54425811
[(2R,3S)-2-(methoxymethyl)oxolan-3-yl] methyl phosphate
CID 140824432
2-(pentoxymethyl)oxirane
CID 160890113
CID 166063430
CID 166063430
2-[[(2R,3R)-3-(hexadecoxymethyl)-1,4-dioxan-2-yl]methoxy-hydroxyphosphoryl]oxyethyl-trimethylazanium
CID 102378595
2-(octoxymethyl)oxirane;2-(tetradecoxymethyl)oxirane
CID 174518537
2-(decoxymethyl)oxirane;2-(nonoxymethyl)oxirane;2-(octoxymethyl)oxirane
CID 71311396
2-(hexoxymethyl)oxirane;2-(pentoxymethyl)oxirane
CID 159895637
2-(tricosoxymethyl)oxirane
CID 57227005
(2S)-2-(octoxymethyl)oxirane
CID 87274801

Frequently Asked Questions

What is the IUPAC name of [[(3R)-2-(butoxymethyl)oxolan-3-yl]oxy-pentylphosphoryl]-dimethylborane?
The IUPAC name of [[(3R)-2-(butoxymethyl)oxolan-3-yl]oxy-pentylphosphoryl]-dimethylborane (CID 174118385) is [[(3R)-2-(butoxymethyl)oxolan-3-yl]oxy-pentylphosphoryl]-dimethylborane.
What is the SMILES notation for [[(3R)-2-(butoxymethyl)oxolan-3-yl]oxy-pentylphosphoryl]-dimethylborane?
The canonical SMILES for [[(3R)-2-(butoxymethyl)oxolan-3-yl]oxy-pentylphosphoryl]-dimethylborane is CCCCCP(=O)(O[C@@H]1CCOC1COCCCC)B(C)C.
What is the InChIKey of [[(3R)-2-(butoxymethyl)oxolan-3-yl]oxy-pentylphosphoryl]-dimethylborane?
The InChIKey is RBDQTQIKUDMXLM-HOKUHMFPSA-N. The full InChI is InChI=1S/C16H34BO4P/c1-5-7-9-13-22(18,17(3)4)21-15-10-12-20-16(15)14-19-11-8-6-2/h15-16H,5-14H2,1-4H3/t15-,16?,22?/m1/s1.
What are the key properties of [[(3R)-2-(butoxymethyl)oxolan-3-yl]oxy-pentylphosphoryl]-dimethylborane?
[[(3R)-2-(butoxymethyl)oxolan-3-yl]oxy-pentylphosphoryl]-dimethylborane has a molecular weight of 332.23 g/mol, XLogP of 4.70, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[(3R)-2-(butoxymethyl)oxolan-3-yl]oxy-pentylphosphoryl]-dimethylborane is sourced from PubChem (CID 174118385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).