(1S)-1-di(propan-2-yloxy)phosphoryl-2-methoxyethanol

C9H21O5P — CID 125471706

IUPAC(1S)-1-di(propan-2-yloxy)phosphoryl-2-methoxyethanol
SMILESCOC[C@@H](O)P(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C9H21O5P/c1-7(2)13-15(11,14-8(3)4)9(10)6-12-5/h7-10H,6H2,1-5H3/t9-/m0/s1
InChIKeyRQLBZQBVPYRSKZ-VIFPVBQESA-N
MW240.24 g/mol
LogP1.99
Rot. Bonds7

About (1S)-1-di(propan-2-yloxy)phosphoryl-2-methoxyethanol

(1S)-1-di(propan-2-yloxy)phosphoryl-2-methoxyethanol (PubChem CID 125471706) has the molecular formula C9H21O5P and a molecular weight of 240.24 g/mol. Its IUPAC name is (1S)-1-di(propan-2-yloxy)phosphoryl-2-methoxyethanol.

Molecular Properties

Compound Name(1S)-1-di(propan-2-yloxy)phosphoryl-2-methoxyethanol
PubChem CID125471706
Molecular FormulaC9H21O5P
Molecular Weight240.24 g/mol
Exact Mass240.11
IUPAC Name(1S)-1-di(propan-2-yloxy)phosphoryl-2-methoxyethanol
SMILESCOC[C@@H](O)P(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C9H21O5P/c1-7(2)13-15(11,14-8(3)4)9(10)6-12-5/h7-10H,6H2,1-5H3/t9-/m0/s1
InChIKeyRQLBZQBVPYRSKZ-VIFPVBQESA-N
XLogP1.99
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.24
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-di(propan-2-yloxy)phosphoryl-3-methylbutan-1-ol
CID 13148198
(1S)-5-bromo-1-di(propan-2-yloxy)phosphorylpentan-1-ol
CID 53355770
(1R)-1-diethoxyphosphoryl-3-methoxypropan-1-ol
CID 125471550
1-dimethoxyphosphoryl-3-methoxypropan-1-ol
CID 13339452
(4-methoxy-3-methylbutyl) propan-2-yl hydrogen phosphate
CID 129147562
1,2-dimethoxyethane;propan-2-yl hydrogen carbonate
CID 175458709
(1S)-1-diethoxyphosphoryl-3-methylbutan-1-ol
CID 10944092
4-methoxy-2,3-dimethylbutanoic acid
CID 79418013
1-methoxypropan-2-ol chloride
CID 23303898
(2R,3S)-3-diethoxyphosphorylbutan-2-ol
CID 11031085
2-[ethoxy(methyl)phosphoryl]oxy-1-methoxypropane
CID 556594
ethyl 2-di(propan-2-yloxy)phosphoryl-2-fluoroacetate
CID 11207945

Frequently Asked Questions

What is the IUPAC name of (1S)-1-di(propan-2-yloxy)phosphoryl-2-methoxyethanol?
The IUPAC name of (1S)-1-di(propan-2-yloxy)phosphoryl-2-methoxyethanol (CID 125471706) is (1S)-1-di(propan-2-yloxy)phosphoryl-2-methoxyethanol.
What is the SMILES notation for (1S)-1-di(propan-2-yloxy)phosphoryl-2-methoxyethanol?
The canonical SMILES for (1S)-1-di(propan-2-yloxy)phosphoryl-2-methoxyethanol is COC[C@@H](O)P(=O)(OC(C)C)OC(C)C.
What is the InChIKey of (1S)-1-di(propan-2-yloxy)phosphoryl-2-methoxyethanol?
The InChIKey is RQLBZQBVPYRSKZ-VIFPVBQESA-N. The full InChI is InChI=1S/C9H21O5P/c1-7(2)13-15(11,14-8(3)4)9(10)6-12-5/h7-10H,6H2,1-5H3/t9-/m0/s1.
What are the key properties of (1S)-1-di(propan-2-yloxy)phosphoryl-2-methoxyethanol?
(1S)-1-di(propan-2-yloxy)phosphoryl-2-methoxyethanol has a molecular weight of 240.24 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-di(propan-2-yloxy)phosphoryl-2-methoxyethanol is sourced from PubChem (CID 125471706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).