2-diethoxyphosphoryl-3-methylbutane

C9H21O3P — CID 10889111

IUPAC2-diethoxyphosphoryl-3-methylbutane
SMILESCCOP(=O)(OCC)C(C)C(C)C
InChIInChI=1S/C9H21O3P/c1-6-11-13(10,12-7-2)9(5)8(3)4/h8-9H,6-7H2,1-5H3
InChIKeyCDHMAZISJAUOJO-UHFFFAOYSA-N
MW208.24 g/mol
LogP3.30
Rot. Bonds6

About 2-diethoxyphosphoryl-3-methylbutane

2-diethoxyphosphoryl-3-methylbutane (PubChem CID 10889111) has the molecular formula C9H21O3P and a molecular weight of 208.24 g/mol. Its IUPAC name is 2-diethoxyphosphoryl-3-methylbutane.

Molecular Properties

Compound Name2-diethoxyphosphoryl-3-methylbutane
PubChem CID10889111
Molecular FormulaC9H21O3P
Molecular Weight208.24 g/mol
Exact Mass208.12
IUPAC Name2-diethoxyphosphoryl-3-methylbutane
SMILESCCOP(=O)(OCC)C(C)C(C)C
InChIInChI=1S/C9H21O3P/c1-6-11-13(10,12-7-2)9(5)8(3)4/h8-9H,6-7H2,1-5H3
InChIKeyCDHMAZISJAUOJO-UHFFFAOYSA-N
XLogP3.30
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-diethoxyphosphoryl-3-methylbutane?
The IUPAC name of 2-diethoxyphosphoryl-3-methylbutane (CID 10889111) is 2-diethoxyphosphoryl-3-methylbutane.
What is the SMILES notation for 2-diethoxyphosphoryl-3-methylbutane?
The canonical SMILES for 2-diethoxyphosphoryl-3-methylbutane is CCOP(=O)(OCC)C(C)C(C)C.
What is the InChIKey of 2-diethoxyphosphoryl-3-methylbutane?
The InChIKey is CDHMAZISJAUOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21O3P/c1-6-11-13(10,12-7-2)9(5)8(3)4/h8-9H,6-7H2,1-5H3.
What are the key properties of 2-diethoxyphosphoryl-3-methylbutane?
2-diethoxyphosphoryl-3-methylbutane has a molecular weight of 208.24 g/mol, XLogP of 3.30, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diethoxyphosphoryl-3-methylbutane is sourced from PubChem (CID 10889111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).