3-di(propan-2-yloxy)phosphoryl-3-phenylpropanal

C15H23O4P — CID 74082329

IUPAC3-di(propan-2-yloxy)phosphoryl-3-phenylpropanal
SMILESCC(C)OP(=O)(OC(C)C)C(CC=O)c1ccccc1
InChIInChI=1S/C15H23O4P/c1-12(2)18-20(17,19-13(3)4)15(10-11-16)14-8-6-5-7-9-14/h5-9,11-13,15H,10H2,1-4H3
InChIKeyBDFSOLANLGTXMT-UHFFFAOYSA-N
MW298.32 g/mol
LogP4.36
Rot. Bonds8

About 3-di(propan-2-yloxy)phosphoryl-3-phenylpropanal

3-di(propan-2-yloxy)phosphoryl-3-phenylpropanal (PubChem CID 74082329) has the molecular formula C15H23O4P and a molecular weight of 298.32 g/mol. Its IUPAC name is 3-di(propan-2-yloxy)phosphoryl-3-phenylpropanal.

Molecular Properties

Compound Name3-di(propan-2-yloxy)phosphoryl-3-phenylpropanal
PubChem CID74082329
Molecular FormulaC15H23O4P
Molecular Weight298.32 g/mol
Exact Mass298.13
IUPAC Name3-di(propan-2-yloxy)phosphoryl-3-phenylpropanal
SMILESCC(C)OP(=O)(OC(C)C)C(CC=O)c1ccccc1
InChIInChI=1S/C15H23O4P/c1-12(2)18-20(17,19-13(3)4)15(10-11-16)14-8-6-5-7-9-14/h5-9,11-13,15H,10H2,1-4H3
InChIKeyBDFSOLANLGTXMT-UHFFFAOYSA-N
XLogP4.36
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-di(propan-2-yloxy)phosphoryl-3-thiophen-2-ylpropanal
CID 23659888
3-[butoxy(ethyl)phosphoryl]-3-phenylpropanal
CID 86657312
(3R)-3-phenylbutanal
CID 10877278
(2R,3R)-2-methyl-3-phenylpentanedial
CID 24741048
3,4-diphenylpentanal
CID 102432987
[(R)-di(propan-2-yloxy)phosphoryl-phenylmethyl] thiocyanate
CID 101252441
2-diethoxyphosphoryl-2-phenylethanamine
CID 14418072
(2R)-2-phenyl-2-propan-2-yloxyacetaldehyde
CID 124578012
(3R)-3-phenylpentanal
CID 12598589
(3S)-3-di(propan-2-yloxy)phosphorylhexanal
CID 23659686
[(1R)-1-phenylethyl] formate
CID 76963066
(3S)-3-hydroxy-3-phenylpropanal
CID 13061659

Frequently Asked Questions

What is the IUPAC name of 3-di(propan-2-yloxy)phosphoryl-3-phenylpropanal?
The IUPAC name of 3-di(propan-2-yloxy)phosphoryl-3-phenylpropanal (CID 74082329) is 3-di(propan-2-yloxy)phosphoryl-3-phenylpropanal.
What is the SMILES notation for 3-di(propan-2-yloxy)phosphoryl-3-phenylpropanal?
The canonical SMILES for 3-di(propan-2-yloxy)phosphoryl-3-phenylpropanal is CC(C)OP(=O)(OC(C)C)C(CC=O)c1ccccc1.
What is the InChIKey of 3-di(propan-2-yloxy)phosphoryl-3-phenylpropanal?
The InChIKey is BDFSOLANLGTXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23O4P/c1-12(2)18-20(17,19-13(3)4)15(10-11-16)14-8-6-5-7-9-14/h5-9,11-13,15H,10H2,1-4H3.
What are the key properties of 3-di(propan-2-yloxy)phosphoryl-3-phenylpropanal?
3-di(propan-2-yloxy)phosphoryl-3-phenylpropanal has a molecular weight of 298.32 g/mol, XLogP of 4.36, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-di(propan-2-yloxy)phosphoryl-3-phenylpropanal is sourced from PubChem (CID 74082329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).