1-di(propan-2-yloxy)phosphorylbutan-1-one

C10H21O4P — CID 15685101

IUPAC1-di(propan-2-yloxy)phosphorylbutan-1-one
SMILESCCCC(=O)P(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C10H21O4P/c1-6-7-10(11)15(12,13-8(2)3)14-9(4)5/h8-9H,6-7H2,1-5H3
InChIKeyFNIJZCGFBWHBGI-UHFFFAOYSA-N
MW236.25 g/mol
LogP3.36
Rot. Bonds7

About 1-di(propan-2-yloxy)phosphorylbutan-1-one

1-di(propan-2-yloxy)phosphorylbutan-1-one (PubChem CID 15685101) has the molecular formula C10H21O4P and a molecular weight of 236.25 g/mol. Its IUPAC name is 1-di(propan-2-yloxy)phosphorylbutan-1-one.

Molecular Properties

Compound Name1-di(propan-2-yloxy)phosphorylbutan-1-one
PubChem CID15685101
Molecular FormulaC10H21O4P
Molecular Weight236.25 g/mol
Exact Mass236.12
IUPAC Name1-di(propan-2-yloxy)phosphorylbutan-1-one
SMILESCCCC(=O)P(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C10H21O4P/c1-6-7-10(11)15(12,13-8(2)3)14-9(4)5/h8-9H,6-7H2,1-5H3
InChIKeyFNIJZCGFBWHBGI-UHFFFAOYSA-N
XLogP3.36
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[bis(2,4-dimethylpentan-3-yloxy)phosphoryl]butan-1-one
CID 87699359
1-di(propan-2-yloxy)phosphoryl-3-methylbutan-1-one
CID 125475807
1-dimethoxyphosphorylbutan-1-one
CID 15685100
1-di(propan-2-yloxy)phosphoryl-N,N-diethylformamide
CID 4204254
(E)-1-di(propan-2-yloxy)phosphorylpent-2-en-1-one
CID 125476499
1-dicyclopentyloxyphosphorylbutan-1-one
CID 23002147
ethyl di(propan-2-yloxy)phosphorylmethanedithioate
CID 11777924
ethyl 2-di(propan-2-yloxy)phosphoryl-2-fluoroacetate
CID 11207945
1-di(propan-2-yloxy)phosphoryl-N-hydroxy-N-methylformamide
CID 10681444
[(2S)-3-di(propan-2-yloxy)phosphoryl-1,1,1-trifluoropropan-2-yl] butanoate
CID 101229327
butan-2-yl dipropan-2-yl phosphate
CID 71379379
1-diethoxyphosphoryl-2-methylhexan-3-one
CID 102517831

Frequently Asked Questions

What is the IUPAC name of 1-di(propan-2-yloxy)phosphorylbutan-1-one?
The IUPAC name of 1-di(propan-2-yloxy)phosphorylbutan-1-one (CID 15685101) is 1-di(propan-2-yloxy)phosphorylbutan-1-one.
What is the SMILES notation for 1-di(propan-2-yloxy)phosphorylbutan-1-one?
The canonical SMILES for 1-di(propan-2-yloxy)phosphorylbutan-1-one is CCCC(=O)P(=O)(OC(C)C)OC(C)C.
What is the InChIKey of 1-di(propan-2-yloxy)phosphorylbutan-1-one?
The InChIKey is FNIJZCGFBWHBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21O4P/c1-6-7-10(11)15(12,13-8(2)3)14-9(4)5/h8-9H,6-7H2,1-5H3.
What are the key properties of 1-di(propan-2-yloxy)phosphorylbutan-1-one?
1-di(propan-2-yloxy)phosphorylbutan-1-one has a molecular weight of 236.25 g/mol, XLogP of 3.36, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-di(propan-2-yloxy)phosphorylbutan-1-one is sourced from PubChem (CID 15685101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).