4-(diethoxyphosphorylmethyl)octane

C13H29O3P — CID 102507048

IUPAC4-(diethoxyphosphorylmethyl)octane
SMILESCCCCC(CCC)CP(=O)(OCC)OCC
InChIInChI=1S/C13H29O3P/c1-5-9-11-13(10-6-2)12-17(14,15-7-3)16-8-4/h13H,5-12H2,1-4H3
InChIKeyZIOOUUNZKFRLDW-UHFFFAOYSA-N
MW264.35 g/mol
LogP4.86
Rot. Bonds11

About 4-(diethoxyphosphorylmethyl)octane

4-(diethoxyphosphorylmethyl)octane (PubChem CID 102507048) has the molecular formula C13H29O3P and a molecular weight of 264.35 g/mol. Its IUPAC name is 4-(diethoxyphosphorylmethyl)octane.

Molecular Properties

Compound Name4-(diethoxyphosphorylmethyl)octane
PubChem CID102507048
Molecular FormulaC13H29O3P
Molecular Weight264.35 g/mol
Exact Mass264.19
IUPAC Name4-(diethoxyphosphorylmethyl)octane
SMILESCCCCC(CCC)CP(=O)(OCC)OCC
InChIInChI=1S/C13H29O3P/c1-5-9-11-13(10-6-2)12-17(14,15-7-3)16-8-4/h13H,5-12H2,1-4H3
InChIKeyZIOOUUNZKFRLDW-UHFFFAOYSA-N
XLogP4.86
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(diethoxyphosphorylmethyl)heptane
CID 13197361
(2R)-1-diethoxyphosphoryl-2-fluorohexane
CID 125470992
5,9-dibutyl-13-propylheptadecane
CID 58862392
1-diethoxyphosphoryldodecan-2-ol
CID 10448817
1-diethoxyphosphorylheptan-2-ylazanium chloride
CID 134863072
disodium;2-propylhexyl phosphate
CID 153363799
methane;4-propyloctane
CID 160687994
1,1,2-tris(diethoxyphosphoryl)ethane
CID 10160299
1-diethoxyphosphorylundecane
CID 57360026
3-propylheptanal
CID 12639871
1-diethoxyphosphoryldecane
CID 2773697
ethyl bis(2-heptylundecyl) phosphate
CID 10963237

Frequently Asked Questions

What is the IUPAC name of 4-(diethoxyphosphorylmethyl)octane?
The IUPAC name of 4-(diethoxyphosphorylmethyl)octane (CID 102507048) is 4-(diethoxyphosphorylmethyl)octane.
What is the SMILES notation for 4-(diethoxyphosphorylmethyl)octane?
The canonical SMILES for 4-(diethoxyphosphorylmethyl)octane is CCCCC(CCC)CP(=O)(OCC)OCC.
What is the InChIKey of 4-(diethoxyphosphorylmethyl)octane?
The InChIKey is ZIOOUUNZKFRLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29O3P/c1-5-9-11-13(10-6-2)12-17(14,15-7-3)16-8-4/h13H,5-12H2,1-4H3.
What are the key properties of 4-(diethoxyphosphorylmethyl)octane?
4-(diethoxyphosphorylmethyl)octane has a molecular weight of 264.35 g/mol, XLogP of 4.86, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethoxyphosphorylmethyl)octane is sourced from PubChem (CID 102507048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).