formyl-tri(propan-2-yl)phosphanium

C10H22OP+ — CID 57179383

IUPACformyl-tri(propan-2-yl)phosphanium
SMILESCC(C)[P+](C=O)(C(C)C)C(C)C
InChIInChI=1S/C10H22OP/c1-8(2)12(7-11,9(3)4)10(5)6/h7-10H,1-6H3/q+1
InChIKeyNHYMKGMKXWUGGU-UHFFFAOYSA-N
MW189.26 g/mol
LogP3.42
Rot. Bonds4

About formyl-tri(propan-2-yl)phosphanium

formyl-tri(propan-2-yl)phosphanium (PubChem CID 57179383) has the molecular formula C10H22OP+ and a molecular weight of 189.26 g/mol. Its IUPAC name is formyl-tri(propan-2-yl)phosphanium.

Molecular Properties

Compound Nameformyl-tri(propan-2-yl)phosphanium
PubChem CID57179383
Molecular FormulaC10H22OP+
Molecular Weight189.26 g/mol
Exact Mass189.14
IUPAC Nameformyl-tri(propan-2-yl)phosphanium
SMILESCC(C)[P+](C=O)(C(C)C)C(C)C
InChIInChI=1S/C10H22OP/c1-8(2)12(7-11,9(3)4)10(5)6/h7-10H,1-6H3/q+1
InChIKeyNHYMKGMKXWUGGU-UHFFFAOYSA-N
XLogP3.42
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methylpropanal;zirconium
CID 87321410
2-methylpropanal;titanium
CID 87093638
chloromethane;2-methylpropanal
CID 145351273
hydride;2-methylpropanal;rubidium(1+)
CID 173100636
hydrogen peroxide;2-methylpropanal
CID 174448714
2-hydroxy(1,2,3-13C3)propanal
CID 169442815
(2S)-2-fluoropropanal
CID 98007652
2-(iodoamino)propanal
CID 89241681
2,4-dimethyl-3-oxopentanedial
CID 59445454
acetonitrile;2-methylpropanal
CID 174939859
1-deuterio-2-methylpropan-1-one
CID 158084519
acetaldehyde;formaldehyde;2-methylpropane
CID 157456500

Frequently Asked Questions

What is the IUPAC name of formyl-tri(propan-2-yl)phosphanium?
The IUPAC name of formyl-tri(propan-2-yl)phosphanium (CID 57179383) is formyl-tri(propan-2-yl)phosphanium.
What is the SMILES notation for formyl-tri(propan-2-yl)phosphanium?
The canonical SMILES for formyl-tri(propan-2-yl)phosphanium is CC(C)[P+](C=O)(C(C)C)C(C)C.
What is the InChIKey of formyl-tri(propan-2-yl)phosphanium?
The InChIKey is NHYMKGMKXWUGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22OP/c1-8(2)12(7-11,9(3)4)10(5)6/h7-10H,1-6H3/q+1.
What are the key properties of formyl-tri(propan-2-yl)phosphanium?
formyl-tri(propan-2-yl)phosphanium has a molecular weight of 189.26 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for formyl-tri(propan-2-yl)phosphanium is sourced from PubChem (CID 57179383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).