1-di(propan-2-yloxy)phosphoryl-3-methylbutan-1-ol

C11H25O4P — CID 13148198

IUPAC1-di(propan-2-yloxy)phosphoryl-3-methylbutan-1-ol
SMILESCC(C)CC(O)P(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C11H25O4P/c1-8(2)7-11(12)16(13,14-9(3)4)15-10(5)6/h8-12H,7H2,1-6H3
InChIKeyKONSNJDPQHOQBH-UHFFFAOYSA-N
MW252.29 g/mol
LogP3.39
Rot. Bonds7

About 1-di(propan-2-yloxy)phosphoryl-3-methylbutan-1-ol

1-di(propan-2-yloxy)phosphoryl-3-methylbutan-1-ol (PubChem CID 13148198) has the molecular formula C11H25O4P and a molecular weight of 252.29 g/mol. Its IUPAC name is 1-di(propan-2-yloxy)phosphoryl-3-methylbutan-1-ol.

Molecular Properties

Compound Name1-di(propan-2-yloxy)phosphoryl-3-methylbutan-1-ol
PubChem CID13148198
Molecular FormulaC11H25O4P
Molecular Weight252.29 g/mol
Exact Mass252.15
IUPAC Name1-di(propan-2-yloxy)phosphoryl-3-methylbutan-1-ol
SMILESCC(C)CC(O)P(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C11H25O4P/c1-8(2)7-11(12)16(13,14-9(3)4)15-10(5)6/h8-12H,7H2,1-6H3
InChIKeyKONSNJDPQHOQBH-UHFFFAOYSA-N
XLogP3.39
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 53.39
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

(1S)-1-diethoxyphosphoryl-3-methylbutan-1-ol
CID 10944092
(1S)-1-di(propan-2-yloxy)phosphoryl-2-methoxyethanol
CID 125471706
(1S)-5-bromo-1-di(propan-2-yloxy)phosphorylpentan-1-ol
CID 53355770
[1-di(propan-2-yloxy)phosphoryl-3-methylbutyl]azanium;2-hydroxy-2-oxoacetate
CID 44660940
2-di(propan-2-yloxy)phosphoryl-N-(2-methylpropyl)propanamide
CID 142721497
ethyl 2-di(propan-2-yloxy)phosphoryl-2-fluoroacetate
CID 11207945
2,6-dimethylheptan-4-yl hydrogen phosphate
CID 21117595
potassium;2,6-dimethylheptan-4-yl dihydrogen phosphate;hydride
CID 174996934
1-di(propan-2-yloxy)phosphoryl-3-methylbutan-1-one
CID 125475807
2-[[di(propan-2-yloxy)phosphoryl-methylsulfanylmethyl]-propan-2-yloxyphosphoryl]oxypropane
CID 15373881
1-di(propan-2-yloxy)phosphorylsulfanylpropan-2-ol
CID 134469659
(1R)-1-di(propan-2-yloxy)phosphoryl-1-methylsulfanylpropane
CID 101252450

Frequently Asked Questions

What is the IUPAC name of 1-di(propan-2-yloxy)phosphoryl-3-methylbutan-1-ol?
The IUPAC name of 1-di(propan-2-yloxy)phosphoryl-3-methylbutan-1-ol (CID 13148198) is 1-di(propan-2-yloxy)phosphoryl-3-methylbutan-1-ol.
What is the SMILES notation for 1-di(propan-2-yloxy)phosphoryl-3-methylbutan-1-ol?
The canonical SMILES for 1-di(propan-2-yloxy)phosphoryl-3-methylbutan-1-ol is CC(C)CC(O)P(=O)(OC(C)C)OC(C)C.
What is the InChIKey of 1-di(propan-2-yloxy)phosphoryl-3-methylbutan-1-ol?
The InChIKey is KONSNJDPQHOQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25O4P/c1-8(2)7-11(12)16(13,14-9(3)4)15-10(5)6/h8-12H,7H2,1-6H3.
What are the key properties of 1-di(propan-2-yloxy)phosphoryl-3-methylbutan-1-ol?
1-di(propan-2-yloxy)phosphoryl-3-methylbutan-1-ol has a molecular weight of 252.29 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-di(propan-2-yloxy)phosphoryl-3-methylbutan-1-ol is sourced from PubChem (CID 13148198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).