[di(propan-2-yl)amino]-methoxy-oxophosphanium

C7H17NO2P+ — CID 14840610

IUPAC[di(propan-2-yl)amino]-methoxy-oxophosphanium
SMILESCO[P+](=O)N(C(C)C)C(C)C
InChIInChI=1S/C7H17NO2P/c1-6(2)8(7(3)4)11(9)10-5/h6-7H,1-5H3/q+1
InChIKeyZOMUDVBLQGJLSA-UHFFFAOYSA-N
MW178.19 g/mol
LogP2.41
Rot. Bonds4

About [di(propan-2-yl)amino]-methoxy-oxophosphanium

[di(propan-2-yl)amino]-methoxy-oxophosphanium (PubChem CID 14840610) has the molecular formula C7H17NO2P+ and a molecular weight of 178.19 g/mol. Its IUPAC name is [di(propan-2-yl)amino]-methoxy-oxophosphanium.

Molecular Properties

Compound Name[di(propan-2-yl)amino]-methoxy-oxophosphanium
PubChem CID14840610
Molecular FormulaC7H17NO2P+
Molecular Weight178.19 g/mol
Exact Mass178.10
IUPAC Name[di(propan-2-yl)amino]-methoxy-oxophosphanium
SMILESCO[P+](=O)N(C(C)C)C(C)C
InChIInChI=1S/C7H17NO2P/c1-6(2)8(7(3)4)11(9)10-5/h6-7H,1-5H3/q+1
InChIKeyZOMUDVBLQGJLSA-UHFFFAOYSA-N
XLogP2.41
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [di(propan-2-yl)amino]-methoxy-oxophosphanium?
The IUPAC name of [di(propan-2-yl)amino]-methoxy-oxophosphanium (CID 14840610) is [di(propan-2-yl)amino]-methoxy-oxophosphanium.
What is the SMILES notation for [di(propan-2-yl)amino]-methoxy-oxophosphanium?
The canonical SMILES for [di(propan-2-yl)amino]-methoxy-oxophosphanium is CO[P+](=O)N(C(C)C)C(C)C.
What is the InChIKey of [di(propan-2-yl)amino]-methoxy-oxophosphanium?
The InChIKey is ZOMUDVBLQGJLSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2P/c1-6(2)8(7(3)4)11(9)10-5/h6-7H,1-5H3/q+1.
What are the key properties of [di(propan-2-yl)amino]-methoxy-oxophosphanium?
[di(propan-2-yl)amino]-methoxy-oxophosphanium has a molecular weight of 178.19 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [di(propan-2-yl)amino]-methoxy-oxophosphanium is sourced from PubChem (CID 14840610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).