(3,5-dimethyl-5-pentan-3-yloxyheptan-3-yl)-oxo-propan-2-ylphosphanium

C17H36O2P+ — CID 146254097

IUPAC(3,5-dimethyl-5-pentan-3-yloxyheptan-3-yl)-oxo-propan-2-ylphosphanium
SMILESCCC(CC)OC(C)(CC)CC(C)(CC)[P+](=O)C(C)C
InChIInChI=1S/C17H36O2P/c1-9-15(10-2)19-16(7,11-3)13-17(8,12-4)20(18)14(5)6/h14-15H,9-13H2,1-8H3/q+1
InChIKeyGIOSTAMMKOYPCH-UHFFFAOYSA-N
MW303.45 g/mol
LogP6.15
Rot. Bonds10

About (3,5-dimethyl-5-pentan-3-yloxyheptan-3-yl)-oxo-propan-2-ylphosphanium

(3,5-dimethyl-5-pentan-3-yloxyheptan-3-yl)-oxo-propan-2-ylphosphanium (PubChem CID 146254097) has the molecular formula C17H36O2P+ and a molecular weight of 303.45 g/mol. Its IUPAC name is (3,5-dimethyl-5-pentan-3-yloxyheptan-3-yl)-oxo-propan-2-ylphosphanium.

Molecular Properties

Compound Name(3,5-dimethyl-5-pentan-3-yloxyheptan-3-yl)-oxo-propan-2-ylphosphanium
PubChem CID146254097
Molecular FormulaC17H36O2P+
Molecular Weight303.45 g/mol
Exact Mass303.24
IUPAC Name(3,5-dimethyl-5-pentan-3-yloxyheptan-3-yl)-oxo-propan-2-ylphosphanium
SMILESCCC(CC)OC(C)(CC)CC(C)(CC)[P+](=O)C(C)C
InChIInChI=1S/C17H36O2P/c1-9-15(10-2)19-16(7,11-3)13-17(8,12-4)20(18)14(5)6/h14-15H,9-13H2,1-8H3/q+1
InChIKeyGIOSTAMMKOYPCH-UHFFFAOYSA-N
XLogP6.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.45
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

oxo-(pentan-3-yloxymethyl)-propan-2-ylphosphanium
CID 126625988
hydroxy-oxo-[3,5,5-trimethyl-6-[2-methyl-2-(2-methylbutoxymethyl)butoxy]hexan-3-yl]phosphanium
CID 91547687
4-ethyl-4-methyl-2-(3-methylpentan-3-yloxy)hexan-3-one
CID 89030369
4-[2-(diethylamino)ethoxy]-4-ethyl-2-methyl-2-pentan-3-yloxyhexan-1-ol
CID 91276899
2-methyl-4-[(2-methylpropan-2-yl)oxy]hexane
CID 91528197
4-ethyl-2-(3-methylhexan-3-yloxy)hexan-3-one
CID 166943208
2-methyl-2-(2-methylpropoxy)butan-1-amine
CID 62355442
5-ethyl-5-methyl-2-(3-methylpentan-3-yloxy)heptan-4-one
CID 89154146
3-methyl-3-(3-methylpentan-3-ylperoxy)pentane
CID 19875132
bis[[(3R)-6-methylheptan-3-yl]oxy]-oxophosphanium
CID 99675694
4-methoxy-2-methyl-2-propan-2-yloxyhexane
CID 123678820
2,2-dimethyl-1-propan-2-yloxypropane;3-propan-2-yloxypentane;2-propan-2-yloxypropane
CID 160593936

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-5-pentan-3-yloxyheptan-3-yl)-oxo-propan-2-ylphosphanium?
The IUPAC name of (3,5-dimethyl-5-pentan-3-yloxyheptan-3-yl)-oxo-propan-2-ylphosphanium (CID 146254097) is (3,5-dimethyl-5-pentan-3-yloxyheptan-3-yl)-oxo-propan-2-ylphosphanium.
What is the SMILES notation for (3,5-dimethyl-5-pentan-3-yloxyheptan-3-yl)-oxo-propan-2-ylphosphanium?
The canonical SMILES for (3,5-dimethyl-5-pentan-3-yloxyheptan-3-yl)-oxo-propan-2-ylphosphanium is CCC(CC)OC(C)(CC)CC(C)(CC)[P+](=O)C(C)C.
What is the InChIKey of (3,5-dimethyl-5-pentan-3-yloxyheptan-3-yl)-oxo-propan-2-ylphosphanium?
The InChIKey is GIOSTAMMKOYPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O2P/c1-9-15(10-2)19-16(7,11-3)13-17(8,12-4)20(18)14(5)6/h14-15H,9-13H2,1-8H3/q+1.
What are the key properties of (3,5-dimethyl-5-pentan-3-yloxyheptan-3-yl)-oxo-propan-2-ylphosphanium?
(3,5-dimethyl-5-pentan-3-yloxyheptan-3-yl)-oxo-propan-2-ylphosphanium has a molecular weight of 303.45 g/mol, XLogP of 6.15, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-5-pentan-3-yloxyheptan-3-yl)-oxo-propan-2-ylphosphanium is sourced from PubChem (CID 146254097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).