2-ethylhexoxy-(3-methylheptan-3-yl)-oxophosphanium

C16H34O2P+ — CID 87593586

IUPAC2-ethylhexoxy-(3-methylheptan-3-yl)-oxophosphanium
SMILESCCCCC(CC)CO[P+](=O)C(C)(CC)CCCC
InChIInChI=1S/C16H34O2P/c1-6-10-12-15(8-3)14-18-19(17)16(5,9-4)13-11-7-2/h15H,6-14H2,1-5H3/q+1
InChIKeyKTXDZLKAEOHRBG-UHFFFAOYSA-N
MW289.42 g/mol
LogP6.32
Rot. Bonds12

About 2-ethylhexoxy-(3-methylheptan-3-yl)-oxophosphanium

2-ethylhexoxy-(3-methylheptan-3-yl)-oxophosphanium (PubChem CID 87593586) has the molecular formula C16H34O2P+ and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-ethylhexoxy-(3-methylheptan-3-yl)-oxophosphanium.

Molecular Properties

Compound Name2-ethylhexoxy-(3-methylheptan-3-yl)-oxophosphanium
PubChem CID87593586
Molecular FormulaC16H34O2P+
Molecular Weight289.42 g/mol
Exact Mass289.23
IUPAC Name2-ethylhexoxy-(3-methylheptan-3-yl)-oxophosphanium
SMILESCCCCC(CC)CO[P+](=O)C(C)(CC)CCCC
InChIInChI=1S/C16H34O2P/c1-6-10-12-15(8-3)14-18-19(17)16(5,9-4)13-11-7-2/h15H,6-14H2,1-5H3/q+1
InChIKeyKTXDZLKAEOHRBG-UHFFFAOYSA-N
XLogP6.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.42
LogP ≤ 56.32
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

[(2S)-2-ethylhexoxy]-[(2R)-2-ethylhexoxy]-oxophosphanium
CID 93476742
2-ethylhexoxy-oxo-propan-2-yloxyphosphanium
CID 151079178
2-amino-2-(hydroxymethyl)propane-1,3-diol;2-ethylhexoxy-hydroxy-oxophosphanium
CID 87433406
2-ethylhexoxy-[2-(octadecylamino)ethyl]-oxophosphanium
CID 174355767
(3R)-3-[[(2R)-2-ethylhexoxy]methyl]heptane
CID 91827254
2-ethylhexoxy-heptan-2-yloxy-oxophosphanium;neodymium
CID 161169213
2-ethylhexyl 2-amino-2-methylbutanoate
CID 79799240
3-(2,2-dimethylpentoxymethyl)heptane
CID 137419140
dihydroxy(oxo)phosphanium;3-ethylheptane
CID 88713628
3-(2-ethylhexoxymethyl)heptane;titanium
CID 87161815
2-(2-ethylhexoxy)-2-methylpentanoic acid
CID 114994394
2-ethylhexyl 5,5-dimethyl-2-(2-methylbutan-2-yl)hexanoate
CID 123332449

Frequently Asked Questions

What is the IUPAC name of 2-ethylhexoxy-(3-methylheptan-3-yl)-oxophosphanium?
The IUPAC name of 2-ethylhexoxy-(3-methylheptan-3-yl)-oxophosphanium (CID 87593586) is 2-ethylhexoxy-(3-methylheptan-3-yl)-oxophosphanium.
What is the SMILES notation for 2-ethylhexoxy-(3-methylheptan-3-yl)-oxophosphanium?
The canonical SMILES for 2-ethylhexoxy-(3-methylheptan-3-yl)-oxophosphanium is CCCCC(CC)CO[P+](=O)C(C)(CC)CCCC.
What is the InChIKey of 2-ethylhexoxy-(3-methylheptan-3-yl)-oxophosphanium?
The InChIKey is KTXDZLKAEOHRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O2P/c1-6-10-12-15(8-3)14-18-19(17)16(5,9-4)13-11-7-2/h15H,6-14H2,1-5H3/q+1.
What are the key properties of 2-ethylhexoxy-(3-methylheptan-3-yl)-oxophosphanium?
2-ethylhexoxy-(3-methylheptan-3-yl)-oxophosphanium has a molecular weight of 289.42 g/mol, XLogP of 6.32, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexoxy-(3-methylheptan-3-yl)-oxophosphanium is sourced from PubChem (CID 87593586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).