heptoxy-oxo-propan-2-yloxyphosphanium

C10H22O3P+ — CID 175466874

IUPACheptoxy-oxo-propan-2-yloxyphosphanium
SMILESCCCCCCCO[P+](=O)OC(C)C
InChIInChI=1S/C10H22O3P/c1-4-5-6-7-8-9-12-14(11)13-10(2)3/h10H,4-9H2,1-3H3/q+1
InChIKeyQUHNTWBSOJTYQP-UHFFFAOYSA-N
MW221.26 g/mol
LogP4.06
Rot. Bonds9

About heptoxy-oxo-propan-2-yloxyphosphanium

heptoxy-oxo-propan-2-yloxyphosphanium (PubChem CID 175466874) has the molecular formula C10H22O3P+ and a molecular weight of 221.26 g/mol. Its IUPAC name is heptoxy-oxo-propan-2-yloxyphosphanium.

Molecular Properties

Compound Nameheptoxy-oxo-propan-2-yloxyphosphanium
PubChem CID175466874
Molecular FormulaC10H22O3P+
Molecular Weight221.26 g/mol
Exact Mass221.13
IUPAC Nameheptoxy-oxo-propan-2-yloxyphosphanium
SMILESCCCCCCCO[P+](=O)OC(C)C
InChIInChI=1S/C10H22O3P/c1-4-5-6-7-8-9-12-14(11)13-10(2)3/h10H,4-9H2,1-3H3/q+1
InChIKeyQUHNTWBSOJTYQP-UHFFFAOYSA-N
XLogP4.06
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 54.06
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

dihexadecoxy(oxo)phosphanium
CID 6336657
oxo-di(tetradecoxy)phosphanium;tetradecane
CID 88815459
dioctadecoxy(oxo)phosphanium
CID 6327799
dodecoxy-octoxy-oxophosphanium
CID 154187352
butoxy-dodecoxy-oxophosphanium
CID 175103299
dioctoxy(oxo)phosphanium;zinc
CID 175522796
oxo(dipentoxy)phosphanium;zinc
CID 157360735
benzene;dihexoxy(oxo)phosphanium
CID 19391965
ethoxy-hexoxy-oxophosphanium
CID 6329155
1,4-diaminobutoxy-hexoxy-oxophosphanium
CID 57021253
ethoxy-oxo-pentoxyphosphanium
CID 86182061
2-(dimethylamino)ethoxy-dodecoxy-oxophosphanium
CID 169075510

Frequently Asked Questions

What is the IUPAC name of heptoxy-oxo-propan-2-yloxyphosphanium?
The IUPAC name of heptoxy-oxo-propan-2-yloxyphosphanium (CID 175466874) is heptoxy-oxo-propan-2-yloxyphosphanium.
What is the SMILES notation for heptoxy-oxo-propan-2-yloxyphosphanium?
The canonical SMILES for heptoxy-oxo-propan-2-yloxyphosphanium is CCCCCCCO[P+](=O)OC(C)C.
What is the InChIKey of heptoxy-oxo-propan-2-yloxyphosphanium?
The InChIKey is QUHNTWBSOJTYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O3P/c1-4-5-6-7-8-9-12-14(11)13-10(2)3/h10H,4-9H2,1-3H3/q+1.
What are the key properties of heptoxy-oxo-propan-2-yloxyphosphanium?
heptoxy-oxo-propan-2-yloxyphosphanium has a molecular weight of 221.26 g/mol, XLogP of 4.06, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for heptoxy-oxo-propan-2-yloxyphosphanium is sourced from PubChem (CID 175466874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).