2-diethoxyphosphorylhexan-3-one

C10H21O4P — CID 10933467

IUPAC2-diethoxyphosphorylhexan-3-one
SMILESCCCC(=O)C(C)P(=O)(OCC)OCC
InChIInChI=1S/C10H21O4P/c1-5-8-10(11)9(4)15(12,13-6-2)14-7-3/h9H,5-8H2,1-4H3
InChIKeyONQVQQVKQUYEDN-UHFFFAOYSA-N
MW236.25 g/mol
LogP3.01
Rot. Bonds8

About 2-diethoxyphosphorylhexan-3-one

2-diethoxyphosphorylhexan-3-one (PubChem CID 10933467) has the molecular formula C10H21O4P and a molecular weight of 236.25 g/mol. Its IUPAC name is 2-diethoxyphosphorylhexan-3-one.

Molecular Properties

Compound Name2-diethoxyphosphorylhexan-3-one
PubChem CID10933467
Molecular FormulaC10H21O4P
Molecular Weight236.25 g/mol
Exact Mass236.12
IUPAC Name2-diethoxyphosphorylhexan-3-one
SMILESCCCC(=O)C(C)P(=O)(OCC)OCC
InChIInChI=1S/C10H21O4P/c1-5-8-10(11)9(4)15(12,13-6-2)14-7-3/h9H,5-8H2,1-4H3
InChIKeyONQVQQVKQUYEDN-UHFFFAOYSA-N
XLogP3.01
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-diethoxyphosphorylhexan-3-one?
The IUPAC name of 2-diethoxyphosphorylhexan-3-one (CID 10933467) is 2-diethoxyphosphorylhexan-3-one.
What is the SMILES notation for 2-diethoxyphosphorylhexan-3-one?
The canonical SMILES for 2-diethoxyphosphorylhexan-3-one is CCCC(=O)C(C)P(=O)(OCC)OCC.
What is the InChIKey of 2-diethoxyphosphorylhexan-3-one?
The InChIKey is ONQVQQVKQUYEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21O4P/c1-5-8-10(11)9(4)15(12,13-6-2)14-7-3/h9H,5-8H2,1-4H3.
What are the key properties of 2-diethoxyphosphorylhexan-3-one?
2-diethoxyphosphorylhexan-3-one has a molecular weight of 236.25 g/mol, XLogP of 3.01, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diethoxyphosphorylhexan-3-one is sourced from PubChem (CID 10933467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).