di(heptan-4-yloxy)-oxophosphanium

C14H30O3P+ — CID 57260615

IUPACdi(heptan-4-yloxy)-oxophosphanium
SMILESCCCC(CCC)O[P+](=O)OC(CCC)CCC
InChIInChI=1S/C14H30O3P/c1-5-9-13(10-6-2)16-18(15)17-14(11-7-3)12-8-4/h13-14H,5-12H2,1-4H3/q+1
InChIKeyIDBBHKSBSCIPJR-UHFFFAOYSA-N
MW277.36 g/mol
LogP5.61
Rot. Bonds12

About di(heptan-4-yloxy)-oxophosphanium

di(heptan-4-yloxy)-oxophosphanium (PubChem CID 57260615) has the molecular formula C14H30O3P+ and a molecular weight of 277.36 g/mol. Its IUPAC name is di(heptan-4-yloxy)-oxophosphanium.

Molecular Properties

Compound Namedi(heptan-4-yloxy)-oxophosphanium
PubChem CID57260615
Molecular FormulaC14H30O3P+
Molecular Weight277.36 g/mol
Exact Mass277.19
IUPAC Namedi(heptan-4-yloxy)-oxophosphanium
SMILESCCCC(CCC)O[P+](=O)OC(CCC)CCC
InChIInChI=1S/C14H30O3P/c1-5-9-13(10-6-2)16-18(15)17-14(11-7-3)12-8-4/h13-14H,5-12H2,1-4H3/q+1
InChIKeyIDBBHKSBSCIPJR-UHFFFAOYSA-N
XLogP5.61
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.36
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis[[(3R)-6-methylheptan-3-yl]oxy]-oxophosphanium
CID 99675694
bis(2-methylpentoxy)-oxophosphanium
CID 20836442
4-phosphorosooxyheptane
CID 175521666
hexan-3-yloxy(oxo)phosphanium
CID 123426808
bis(2-aminopentoxy)-oxophosphanium
CID 88666943
(313C)heptan-4-yl acetate
CID 117065532
bis(difluoromethoxy)-oxophosphanium
CID 21265767
heptan-4-yl dihydrogen phosphate
CID 18763997
bis(4-aminobutan-2-yloxy)-oxophosphanium
CID 88803000
bis(1,2-diaminobutoxy)-oxophosphanium
CID 57302111
diheptan-4-yl hydrogen phosphate
CID 22497552
trihexan-3-yl phosphate
CID 22497582

Frequently Asked Questions

What is the IUPAC name of di(heptan-4-yloxy)-oxophosphanium?
The IUPAC name of di(heptan-4-yloxy)-oxophosphanium (CID 57260615) is di(heptan-4-yloxy)-oxophosphanium.
What is the SMILES notation for di(heptan-4-yloxy)-oxophosphanium?
The canonical SMILES for di(heptan-4-yloxy)-oxophosphanium is CCCC(CCC)O[P+](=O)OC(CCC)CCC.
What is the InChIKey of di(heptan-4-yloxy)-oxophosphanium?
The InChIKey is IDBBHKSBSCIPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O3P/c1-5-9-13(10-6-2)16-18(15)17-14(11-7-3)12-8-4/h13-14H,5-12H2,1-4H3/q+1.
What are the key properties of di(heptan-4-yloxy)-oxophosphanium?
di(heptan-4-yloxy)-oxophosphanium has a molecular weight of 277.36 g/mol, XLogP of 5.61, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for di(heptan-4-yloxy)-oxophosphanium is sourced from PubChem (CID 57260615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).