2-[ethoxy(propan-2-yloxy)phosphoryl]propan-2-ol

C8H19O4P — CID 12012614

IUPAC2-[ethoxy(propan-2-yloxy)phosphoryl]propan-2-ol
SMILESCCOP(=O)(OC(C)C)C(C)(C)O
InChIInChI=1S/C8H19O4P/c1-6-11-13(10,8(4,5)9)12-7(2)3/h7,9H,6H2,1-5H3
InChIKeyXQNYGNNVJPDOEV-UHFFFAOYSA-N
MW210.21 g/mol
LogP2.37
Rot. Bonds5

About 2-[ethoxy(propan-2-yloxy)phosphoryl]propan-2-ol

2-[ethoxy(propan-2-yloxy)phosphoryl]propan-2-ol (PubChem CID 12012614) has the molecular formula C8H19O4P and a molecular weight of 210.21 g/mol. Its IUPAC name is 2-[ethoxy(propan-2-yloxy)phosphoryl]propan-2-ol.

Molecular Properties

Compound Name2-[ethoxy(propan-2-yloxy)phosphoryl]propan-2-ol
PubChem CID12012614
Molecular FormulaC8H19O4P
Molecular Weight210.21 g/mol
Exact Mass210.10
IUPAC Name2-[ethoxy(propan-2-yloxy)phosphoryl]propan-2-ol
SMILESCCOP(=O)(OC(C)C)C(C)(C)O
InChIInChI=1S/C8H19O4P/c1-6-11-13(10,8(4,5)9)12-7(2)3/h7,9H,6H2,1-5H3
InChIKeyXQNYGNNVJPDOEV-UHFFFAOYSA-N
XLogP2.37
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.21
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-2-diethoxyphosphorylbutan-2-ol
CID 12591813
2-diethoxyphosphoryl-2-methylpropan-1-amine
CID 58928684
N-tert-butyl-N-[1-[ethoxy(propan-2-yloxy)phosphoryl]-2,2-dimethylpropyl]hydroxylamine
CID 91262510
2-di(propan-2-yloxy)phosphoryl-3-nitrobutan-2-ol
CID 23261420
2-diethoxyphosphoryl-4-methylpentan-2-amine
CID 14742051
3-[ethoxy(ethyl)phosphoryl]oxy-2,2-dimethylbutane
CID 170850874
3-diethoxyphosphoryl-3-methylbutan-2-one
CID 14267358
[1-hydroxy-1-[hydroxy(propan-2-yloxy)phosphoryl]ethyl]phosphonic acid
CID 54028975
ethyl 3-methylbutan-2-yl hydrogen phosphate
CID 139213198
2-diethoxyphosphoryl-2-[ethoxy(methyl)phosphoryl]propane
CID 21197647
N'-[1,3-bis(diethoxyphosphoryl)-3-methylbutyl]acetohydrazide
CID 135009230
3-diethoxyphosphoryl-2,2,5-trimethylhexane
CID 87328302

Frequently Asked Questions

What is the IUPAC name of 2-[ethoxy(propan-2-yloxy)phosphoryl]propan-2-ol?
The IUPAC name of 2-[ethoxy(propan-2-yloxy)phosphoryl]propan-2-ol (CID 12012614) is 2-[ethoxy(propan-2-yloxy)phosphoryl]propan-2-ol.
What is the SMILES notation for 2-[ethoxy(propan-2-yloxy)phosphoryl]propan-2-ol?
The canonical SMILES for 2-[ethoxy(propan-2-yloxy)phosphoryl]propan-2-ol is CCOP(=O)(OC(C)C)C(C)(C)O.
What is the InChIKey of 2-[ethoxy(propan-2-yloxy)phosphoryl]propan-2-ol?
The InChIKey is XQNYGNNVJPDOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19O4P/c1-6-11-13(10,8(4,5)9)12-7(2)3/h7,9H,6H2,1-5H3.
What are the key properties of 2-[ethoxy(propan-2-yloxy)phosphoryl]propan-2-ol?
2-[ethoxy(propan-2-yloxy)phosphoryl]propan-2-ol has a molecular weight of 210.21 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethoxy(propan-2-yloxy)phosphoryl]propan-2-ol is sourced from PubChem (CID 12012614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).