3-ethyldecan-3-yl-dioxido-oxo-λ5-phosphane

C12H25O3P-2 — CID 20522342

IUPAC3-ethyldecan-3-yl-dioxido-oxo-λ5-phosphane
SMILESCCCCCCCC(CC)(CC)P(=O)([O-])[O-]
InChIInChI=1S/C12H27O3P/c1-4-7-8-9-10-11-12(5-2,6-3)16(13,14)15/h4-11H2,1-3H3,(H2,13,14,15)/p-2
InChIKeyURWBTWJSWBZPNJ-UHFFFAOYSA-L
MW248.30 g/mol
LogP2.82
Rot. Bonds9

About 3-ethyldecan-3-yl-dioxido-oxo-λ5-phosphane

3-ethyldecan-3-yl-dioxido-oxo-λ5-phosphane (PubChem CID 20522342) has the molecular formula C12H25O3P-2 and a molecular weight of 248.30 g/mol. Its IUPAC name is 3-ethyldecan-3-yl-dioxido-oxo-λ5-phosphane.

Molecular Properties

Compound Name3-ethyldecan-3-yl-dioxido-oxo-λ5-phosphane
PubChem CID20522342
Molecular FormulaC12H25O3P-2
Molecular Weight248.30 g/mol
Exact Mass248.16
IUPAC Name3-ethyldecan-3-yl-dioxido-oxo-λ5-phosphane
SMILESCCCCCCCC(CC)(CC)P(=O)([O-])[O-]
InChIInChI=1S/C12H27O3P/c1-4-7-8-9-10-11-12(5-2,6-3)16(13,14)15/h4-11H2,1-3H3,(H2,13,14,15)/p-2
InChIKeyURWBTWJSWBZPNJ-UHFFFAOYSA-L
XLogP2.82
TPSA63.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-ethyldecan-3-ylphosphonic acid
CID 20522343
3-ethylicosan-3-ylphosphonic acid
CID 146503819
8-heptylpentacosan-8-ylphosphonic acid
CID 151553369
carbanylium;1,1-diphosphonatododecan-1-ol;bis(yttrium)
CID 158889526
1-diethoxyphosphoryloctadecane;3-ethylicosan-3-ylphosphonic acid
CID 157333830
calcium hexadecyl-dioxido-oxo-λ5-phosphane
CID 87400108
calcium bis(dihexylphosphinate)
CID 170549963
tricalcium;octadecan-1-amine;diphosphate
CID 174663264
tris(2,2-dihexyloctanoate);neodymium(3+)
CID 159599311
2,2-diethyltridecanoic acid
CID 138578067
2,2-diethylnonadecanoic acid
CID 139750929
3-ethyl-3-methyldecane
CID 545661

Frequently Asked Questions

What is the IUPAC name of 3-ethyldecan-3-yl-dioxido-oxo-λ5-phosphane?
The IUPAC name of 3-ethyldecan-3-yl-dioxido-oxo-λ5-phosphane (CID 20522342) is 3-ethyldecan-3-yl-dioxido-oxo-λ5-phosphane.
What is the SMILES notation for 3-ethyldecan-3-yl-dioxido-oxo-λ5-phosphane?
The canonical SMILES for 3-ethyldecan-3-yl-dioxido-oxo-λ5-phosphane is CCCCCCCC(CC)(CC)P(=O)([O-])[O-].
What is the InChIKey of 3-ethyldecan-3-yl-dioxido-oxo-λ5-phosphane?
The InChIKey is URWBTWJSWBZPNJ-UHFFFAOYSA-L. The full InChI is InChI=1S/C12H27O3P/c1-4-7-8-9-10-11-12(5-2,6-3)16(13,14)15/h4-11H2,1-3H3,(H2,13,14,15)/p-2.
What are the key properties of 3-ethyldecan-3-yl-dioxido-oxo-λ5-phosphane?
3-ethyldecan-3-yl-dioxido-oxo-λ5-phosphane has a molecular weight of 248.30 g/mol, XLogP of 2.82, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyldecan-3-yl-dioxido-oxo-λ5-phosphane is sourced from PubChem (CID 20522342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).