butan-2-yl dipropan-2-yl phosphate

C10H23O4P — CID 71379379

IUPACbutan-2-yl dipropan-2-yl phosphate
SMILESCCC(C)OP(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C10H23O4P/c1-7-10(6)14-15(11,12-8(2)3)13-9(4)5/h8-10H,7H2,1-6H3
InChIKeyUPOWNORTIWUPBL-UHFFFAOYSA-N
MW238.26 g/mol
LogP3.76
Rot. Bonds7

About butan-2-yl dipropan-2-yl phosphate

butan-2-yl dipropan-2-yl phosphate (PubChem CID 71379379) has the molecular formula C10H23O4P and a molecular weight of 238.26 g/mol. Its IUPAC name is butan-2-yl dipropan-2-yl phosphate.

Molecular Properties

Compound Namebutan-2-yl dipropan-2-yl phosphate
PubChem CID71379379
Molecular FormulaC10H23O4P
Molecular Weight238.26 g/mol
Exact Mass238.13
IUPAC Namebutan-2-yl dipropan-2-yl phosphate
SMILESCCC(C)OP(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C10H23O4P/c1-7-10(6)14-15(11,12-8(2)3)13-9(4)5/h8-10H,7H2,1-6H3
InChIKeyUPOWNORTIWUPBL-UHFFFAOYSA-N
XLogP3.76
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 53.76
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

tributan-2-yl phosphate
CID 11482502
(2S)-2-[[(2S)-butan-2-yl]oxy-chlorophosphoryl]oxybutane
CID 129405221
dipotassium;butan-2-yl phosphate
CID 21353345
tris[(2R)-1-chloropropan-2-yl] phosphate
CID 91827061
2-[chloro(ethyl)phosphoryl]oxybutane
CID 170850887
butan-2-yloxy(tert-butyl)phosphinic acid
CID 118610091
acetyl(butan-2-yloxy)phosphinic acid
CID 87198875
[methoxycarbonyloxymethoxy(propan-2-yloxy)phosphoryl]oxymethyl methyl carbonate
CID 122697840
butan-2-yl 2,2-dichloro-2-di(propan-2-yloxy)phosphorylacetate
CID 23336335
1-(1-methylpiperidin-1-ium-1-yl)propan-2-yl dipropan-2-yl phosphate iodide
CID 3056453
ethyl 2-di(propan-2-yloxy)phosphoryloxy-3,3,3-trifluoropropanoate
CID 610019
2-[butan-2-yloxy-(diethoxyphosphorylamino)phosphoryl]oxybutane
CID 4054615

Frequently Asked Questions

What is the IUPAC name of butan-2-yl dipropan-2-yl phosphate?
The IUPAC name of butan-2-yl dipropan-2-yl phosphate (CID 71379379) is butan-2-yl dipropan-2-yl phosphate.
What is the SMILES notation for butan-2-yl dipropan-2-yl phosphate?
The canonical SMILES for butan-2-yl dipropan-2-yl phosphate is CCC(C)OP(=O)(OC(C)C)OC(C)C.
What is the InChIKey of butan-2-yl dipropan-2-yl phosphate?
The InChIKey is UPOWNORTIWUPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23O4P/c1-7-10(6)14-15(11,12-8(2)3)13-9(4)5/h8-10H,7H2,1-6H3.
What are the key properties of butan-2-yl dipropan-2-yl phosphate?
butan-2-yl dipropan-2-yl phosphate has a molecular weight of 238.26 g/mol, XLogP of 3.76, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl dipropan-2-yl phosphate is sourced from PubChem (CID 71379379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).