3-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methoxy]butan-2-ol

C10H21O5P — CID 130347215

IUPAC3-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methoxy]butan-2-ol
SMILESCC(O)C(C)OCP1(=O)OCC(C)(C)CO1
InChIInChI=1S/C10H21O5P/c1-8(11)9(2)13-7-16(12)14-5-10(3,4)6-15-16/h8-9,11H,5-7H2,1-4H3
InChIKeySDRZLQKBMXGSPW-UHFFFAOYSA-N
MW252.25 g/mol
LogP2.00
Rot. Bonds4

About 3-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methoxy]butan-2-ol

3-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methoxy]butan-2-ol (PubChem CID 130347215) has the molecular formula C10H21O5P and a molecular weight of 252.25 g/mol. Its IUPAC name is 3-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methoxy]butan-2-ol.

Molecular Properties

Compound Name3-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methoxy]butan-2-ol
PubChem CID130347215
Molecular FormulaC10H21O5P
Molecular Weight252.25 g/mol
Exact Mass252.11
IUPAC Name3-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methoxy]butan-2-ol
SMILESCC(O)C(C)OCP1(=O)OCC(C)(C)CO1
InChIInChI=1S/C10H21O5P/c1-8(11)9(2)13-7-16(12)14-5-10(3,4)6-15-16/h8-9,11H,5-7H2,1-4H3
InChIKeySDRZLQKBMXGSPW-UHFFFAOYSA-N
XLogP2.00
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.25
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methoxy]butan-2-ol with MolForge

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Related Compounds

[(2S)-2,3-dihydroxypropyl] [(2R)-2,3-dimethoxypropyl] hydrogen phosphate
CID 146171245
Diisopropyl [(2-Hydroxyethoxy)methyl]phosphonate
CID 10444291
2-[(5,5-Dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)oxy]propan-1-ol
CID 11241567
1-[(5,5-Dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)oxy]propan-2-ol
CID 11368084
2-(Diethoxyphosphorylmethoxy)propane-1,3-diol
CID 14862070
diisopropyl (R)-[(2-hydroxy-1-methylethyloxy)methyl]phosphonate
CID 15667221
2-[Di(propan-2-yloxy)phosphorylmethoxy]propan-1-ol
CID 19088433
3-(Diethoxyphosphorylmethoxy)butane-1,2-diol
CID 19993549
(S)-2-O-[(Diisopropylphosphono)methyl]-1,2-propanediol
CID 22851233
2-[2-[(5,5-Dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)oxy]butoxy]ethanol
CID 53694405
2-[(5,5-Dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)oxy]pentan-1-ol
CID 53749107
2-[(2-Hydroxy-2-oxo-1,3,2lambda5-dioxaphosphinan-5-yl)oxy]propan-1-ol
CID 53752412

Frequently Asked Questions

What is the IUPAC name of 3-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methoxy]butan-2-ol?
The IUPAC name of 3-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methoxy]butan-2-ol (CID 130347215) is 3-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methoxy]butan-2-ol.
What is the SMILES notation for 3-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methoxy]butan-2-ol?
The canonical SMILES for 3-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methoxy]butan-2-ol is CC(O)C(C)OCP1(=O)OCC(C)(C)CO1.
What is the InChIKey of 3-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methoxy]butan-2-ol?
The InChIKey is SDRZLQKBMXGSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21O5P/c1-8(11)9(2)13-7-16(12)14-5-10(3,4)6-15-16/h8-9,11H,5-7H2,1-4H3.
What are the key properties of 3-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methoxy]butan-2-ol?
3-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methoxy]butan-2-ol has a molecular weight of 252.25 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methoxy]butan-2-ol is sourced from PubChem (CID 130347215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).