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

C11H23O4P — CID 15685104

IUPAC1-di(propan-2-yloxy)phosphorylpentan-1-one
SMILESCCCCC(=O)P(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C11H23O4P/c1-6-7-8-11(12)16(13,14-9(2)3)15-10(4)5/h9-10H,6-8H2,1-5H3
InChIKeyRXJVEABCCODODJ-UHFFFAOYSA-N
MW250.27 g/mol
LogP3.75
Rot. Bonds8

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

1-di(propan-2-yloxy)phosphorylpentan-1-one (PubChem CID 15685104) has the molecular formula C11H23O4P and a molecular weight of 250.27 g/mol. Its IUPAC name is 1-di(propan-2-yloxy)phosphorylpentan-1-one.

Molecular Properties

Compound Name1-di(propan-2-yloxy)phosphorylpentan-1-one
PubChem CID15685104
Molecular FormulaC11H23O4P
Molecular Weight250.27 g/mol
Exact Mass250.13
IUPAC Name1-di(propan-2-yloxy)phosphorylpentan-1-one
SMILESCCCCC(=O)P(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C11H23O4P/c1-6-7-8-11(12)16(13,14-9(2)3)15-10(4)5/h9-10H,6-8H2,1-5H3
InChIKeyRXJVEABCCODODJ-UHFFFAOYSA-N
XLogP3.75
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 53.75
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

Dipropan-2-yl acetylphosphonate
CID 12495903
Diethyl (2-oxocyclopentyl)phosphonate
CID 10466036
2-Diethoxyphosphorylhexan-3-one
CID 10933467
2-Diethoxyphosphorylpentan-3-one
CID 13642670
Diethylphosphonoacetylacetone
CID 14225956
Dimethyl (2-oxohexyl)phosphonate
CID 10889105
3-Diethoxyphosphorylpentan-2-one
CID 10900195
Phosphonic acid, (2-oxohexyl)-, diethyl ester
CID 10977428
1-Diethoxyphosphorylpentan-1-one
CID 12617036
1-Dimethoxyphosphorylhexan-1-one
CID 13841490
1-Di(propan-2-yloxy)phosphorylbutan-1-one
CID 15685101
Diethyl (1-oxopentan-2-yl)phosphonate
CID 4642092

Frequently Asked Questions

What is the IUPAC name of 1-di(propan-2-yloxy)phosphorylpentan-1-one?
The IUPAC name of 1-di(propan-2-yloxy)phosphorylpentan-1-one (CID 15685104) is 1-di(propan-2-yloxy)phosphorylpentan-1-one.
What is the SMILES notation for 1-di(propan-2-yloxy)phosphorylpentan-1-one?
The canonical SMILES for 1-di(propan-2-yloxy)phosphorylpentan-1-one is CCCCC(=O)P(=O)(OC(C)C)OC(C)C.
What is the InChIKey of 1-di(propan-2-yloxy)phosphorylpentan-1-one?
The InChIKey is RXJVEABCCODODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23O4P/c1-6-7-8-11(12)16(13,14-9(2)3)15-10(4)5/h9-10H,6-8H2,1-5H3.
What are the key properties of 1-di(propan-2-yloxy)phosphorylpentan-1-one?
1-di(propan-2-yloxy)phosphorylpentan-1-one has a molecular weight of 250.27 g/mol, XLogP of 3.75, 8 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)phosphorylpentan-1-one is sourced from PubChem (CID 15685104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).