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

C11H23O4P — CID 125475807

IUPAC1-di(propan-2-yloxy)phosphoryl-3-methylbutan-1-one
SMILESCC(C)CC(=O)P(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C11H23O4P/c1-8(2)7-11(12)16(13,14-9(3)4)15-10(5)6/h8-10H,7H2,1-6H3
InChIKeyJURQVTHWHANMIK-UHFFFAOYSA-N
MW250.27 g/mol
LogP3.60
Rot. Bonds7

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

1-di(propan-2-yloxy)phosphoryl-3-methylbutan-1-one (PubChem CID 125475807) has the molecular formula C11H23O4P and a molecular weight of 250.27 g/mol. Its IUPAC name is 1-di(propan-2-yloxy)phosphoryl-3-methylbutan-1-one.

Molecular Properties

Compound Name1-di(propan-2-yloxy)phosphoryl-3-methylbutan-1-one
PubChem CID125475807
Molecular FormulaC11H23O4P
Molecular Weight250.27 g/mol
Exact Mass250.13
IUPAC Name1-di(propan-2-yloxy)phosphoryl-3-methylbutan-1-one
SMILESCC(C)CC(=O)P(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C11H23O4P/c1-8(2)7-11(12)16(13,14-9(3)4)15-10(5)6/h8-10H,7H2,1-6H3
InChIKeyJURQVTHWHANMIK-UHFFFAOYSA-N
XLogP3.60
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 53.60
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-di(propan-2-yloxy)phosphorylbutan-1-one
CID 15685101
1-di(propan-2-yloxy)phosphoryl-N-hydroxy-N-methylformamide
CID 10681444
1-di(propan-2-yloxy)phosphoryl-N,N-diethylformamide
CID 4204254
(E)-1-di(propan-2-yloxy)phosphorylpent-2-en-1-one
CID 125476499
di(propan-2-yloxy)phosphorylmethyl propan-2-yl carbonate
CID 12810488
1-[bis(2,4-dimethylpentan-3-yloxy)phosphoryl]butan-1-one
CID 87699359
3-di(propan-2-yloxy)phosphoryl-1,1,1-trifluoropropan-2-one
CID 134894233
(NE)-N-[2-amino-1-di(propan-2-yloxy)phosphorylethylidene]hydroxylamine
CID 14755443
ethyl di(propan-2-yloxy)phosphorylmethanedithioate
CID 11777924
1-di(propan-2-yloxy)phosphoryl-3-methylbutan-1-ol
CID 13148198
2-[ethyl-[ethyl(propan-2-yloxy)phosphoryl]oxyphosphoryl]oxypropane
CID 134976793
2-di(propan-2-yloxy)phosphoryl-N-(2-methylpropyl)propanamide
CID 142721497

Frequently Asked Questions

What is the IUPAC name of 1-di(propan-2-yloxy)phosphoryl-3-methylbutan-1-one?
The IUPAC name of 1-di(propan-2-yloxy)phosphoryl-3-methylbutan-1-one (CID 125475807) is 1-di(propan-2-yloxy)phosphoryl-3-methylbutan-1-one.
What is the SMILES notation for 1-di(propan-2-yloxy)phosphoryl-3-methylbutan-1-one?
The canonical SMILES for 1-di(propan-2-yloxy)phosphoryl-3-methylbutan-1-one 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-one?
The InChIKey is JURQVTHWHANMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23O4P/c1-8(2)7-11(12)16(13,14-9(3)4)15-10(5)6/h8-10H,7H2,1-6H3.
What are the key properties of 1-di(propan-2-yloxy)phosphoryl-3-methylbutan-1-one?
1-di(propan-2-yloxy)phosphoryl-3-methylbutan-1-one has a molecular weight of 250.27 g/mol, XLogP of 3.60, 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)phosphoryl-3-methylbutan-1-one is sourced from PubChem (CID 125475807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).