6-diethoxyphosphorylhexan-3-one

C10H21O4P — CID 91326618

IUPAC6-diethoxyphosphorylhexan-3-one
SMILESCCOP(=O)(CCCC(=O)CC)OCC
InChIInChI=1S/C10H21O4P/c1-4-10(11)8-7-9-15(12,13-5-2)14-6-3/h4-9H2,1-3H3
InChIKeyHSMNXHRPHRLAAH-UHFFFAOYSA-N
MW236.25 g/mol
LogP3.01
Rot. Bonds9

About 6-diethoxyphosphorylhexan-3-one

6-diethoxyphosphorylhexan-3-one (PubChem CID 91326618) has the molecular formula C10H21O4P and a molecular weight of 236.25 g/mol. Its IUPAC name is 6-diethoxyphosphorylhexan-3-one.

Molecular Properties

Compound Name6-diethoxyphosphorylhexan-3-one
PubChem CID91326618
Molecular FormulaC10H21O4P
Molecular Weight236.25 g/mol
Exact Mass236.12
IUPAC Name6-diethoxyphosphorylhexan-3-one
SMILESCCOP(=O)(CCCC(=O)CC)OCC
InChIInChI=1S/C10H21O4P/c1-4-10(11)8-7-9-15(12,13-5-2)14-6-3/h4-9H2,1-3H3
InChIKeyHSMNXHRPHRLAAH-UHFFFAOYSA-N
XLogP3.01
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
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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Related Compounds

1,5-bis(diethoxyphosphoryl)pentan-3-one
CID 12030147
4-diethoxyphosphoryl-1-hydroxybutan-2-one
CID 11009594
5-diethoxyphosphoryl-2-methylpent-1-ene
CID 11345027
4-diethoxyphosphorylbutanehydrazide
CID 156632548
13-diethoxyphosphoryltridecanoic acid
CID 87637864
11-diethoxyphosphorylundecanoic acid
CID 45158998
ethyl 5-diethoxyphosphorylpentanoate
CID 2773707
butyl 4-diethoxyphosphorylbutanoate
CID 90341403
8-diethoxyphosphoryloctan-1-ol
CID 10515886
3-diethoxyphosphorylpropan-1-amine;oxalic acid
CID 2733597
1-diethoxyphosphoryldecane
CID 2773697
1-diethoxyphosphorylundecane
CID 57360026

Frequently Asked Questions

What is the IUPAC name of 6-diethoxyphosphorylhexan-3-one?
The IUPAC name of 6-diethoxyphosphorylhexan-3-one (CID 91326618) is 6-diethoxyphosphorylhexan-3-one.
What is the SMILES notation for 6-diethoxyphosphorylhexan-3-one?
The canonical SMILES for 6-diethoxyphosphorylhexan-3-one is CCOP(=O)(CCCC(=O)CC)OCC.
What is the InChIKey of 6-diethoxyphosphorylhexan-3-one?
The InChIKey is HSMNXHRPHRLAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21O4P/c1-4-10(11)8-7-9-15(12,13-5-2)14-6-3/h4-9H2,1-3H3.
What are the key properties of 6-diethoxyphosphorylhexan-3-one?
6-diethoxyphosphorylhexan-3-one has a molecular weight of 236.25 g/mol, XLogP of 3.01, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-diethoxyphosphorylhexan-3-one is sourced from PubChem (CID 91326618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).