hydroxy-(2-methylpropyl)-oxophosphanium

C4H10O2P+ — CID 14388629

IUPAChydroxy-(2-methylpropyl)-oxophosphanium
SMILESCC(C)C[P+](=O)O
InChIInChI=1S/C4H9O2P/c1-4(2)3-7(5)6/h4H,3H2,1-2H3/p+1
InChIKeyLDACMPDBLQTTLX-UHFFFAOYSA-O
MW121.10 g/mol
LogP1.38
Rot. Bonds2

About hydroxy-(2-methylpropyl)-oxophosphanium

hydroxy-(2-methylpropyl)-oxophosphanium (PubChem CID 14388629) has the molecular formula C4H10O2P+ and a molecular weight of 121.10 g/mol. Its IUPAC name is hydroxy-(2-methylpropyl)-oxophosphanium.

Molecular Properties

Compound Namehydroxy-(2-methylpropyl)-oxophosphanium
PubChem CID14388629
Molecular FormulaC4H10O2P+
Molecular Weight121.10 g/mol
Exact Mass121.04
IUPAC Namehydroxy-(2-methylpropyl)-oxophosphanium
SMILESCC(C)C[P+](=O)O
InChIInChI=1S/C4H9O2P/c1-4(2)3-7(5)6/h4H,3H2,1-2H3/p+1
InChIKeyLDACMPDBLQTTLX-UHFFFAOYSA-O
XLogP1.38
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.10
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hydroxy-(2-methylpropyl)-oxophosphanium?
The IUPAC name of hydroxy-(2-methylpropyl)-oxophosphanium (CID 14388629) is hydroxy-(2-methylpropyl)-oxophosphanium.
What is the SMILES notation for hydroxy-(2-methylpropyl)-oxophosphanium?
The canonical SMILES for hydroxy-(2-methylpropyl)-oxophosphanium is CC(C)C[P+](=O)O.
What is the InChIKey of hydroxy-(2-methylpropyl)-oxophosphanium?
The InChIKey is LDACMPDBLQTTLX-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H9O2P/c1-4(2)3-7(5)6/h4H,3H2,1-2H3/p+1.
What are the key properties of hydroxy-(2-methylpropyl)-oxophosphanium?
hydroxy-(2-methylpropyl)-oxophosphanium has a molecular weight of 121.10 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-(2-methylpropyl)-oxophosphanium is sourced from PubChem (CID 14388629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).