[(E)-dec-6-en-5-yl]oxy-[(2R)-2-methylbutoxy]-oxophosphanium

C15H30O3P+ — CID 134969438

IUPAC[(E)-dec-6-en-5-yl]oxy-[(2R)-2-methylbutoxy]-oxophosphanium
SMILESCCC/C=C/C(CCCC)O[P+](=O)OC[C@H](C)CC
InChIInChI=1S/C15H30O3P/c1-5-8-10-12-15(11-9-6-2)18-19(16)17-13-14(4)7-3/h10,12,14-15H,5-9,11,13H2,1-4H3/q+1/b12-10+/t14-,15?/m1/s1
InChIKeyBUIBOVJUECMTEF-YREPURNCSA-N
MW289.38 g/mol
LogP5.64
Rot. Bonds12

About [(E)-dec-6-en-5-yl]oxy-[(2R)-2-methylbutoxy]-oxophosphanium

[(E)-dec-6-en-5-yl]oxy-[(2R)-2-methylbutoxy]-oxophosphanium (PubChem CID 134969438) has the molecular formula C15H30O3P+ and a molecular weight of 289.38 g/mol. Its IUPAC name is [(E)-dec-6-en-5-yl]oxy-[(2R)-2-methylbutoxy]-oxophosphanium.

Molecular Properties

Compound Name[(E)-dec-6-en-5-yl]oxy-[(2R)-2-methylbutoxy]-oxophosphanium
PubChem CID134969438
Molecular FormulaC15H30O3P+
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name[(E)-dec-6-en-5-yl]oxy-[(2R)-2-methylbutoxy]-oxophosphanium
SMILESCCC/C=C/C(CCCC)O[P+](=O)OC[C@H](C)CC
InChIInChI=1S/C15H30O3P/c1-5-8-10-12-15(11-9-6-2)18-19(16)17-13-14(4)7-3/h10,12,14-15H,5-9,11,13H2,1-4H3/q+1/b12-10+/t14-,15?/m1/s1
InChIKeyBUIBOVJUECMTEF-YREPURNCSA-N
XLogP5.64
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.38
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(E)-dec-6-en-5-yl]oxy-[(2R)-2-methylbutoxy]-oxophosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(E)-dec-6-en-5-yl]oxy-oxo-(2,2,2-trifluoroethoxy)phosphanium
CID 134969378
Cyclohex-2-en-1-yl diethyl phosphate
CID 10421524
diethyl [(E,3R)-2-methylhex-4-en-3-yl] phosphate
CID 10988693
diethyl [(E,4R)-oct-2-en-4-yl] phosphate
CID 11032737
diethyl [(E,4R)-5-ethylhept-2-en-4-yl] phosphate
CID 11097868
Cyclohept-2-en-1-yl diethyl phosphate
CID 11586848
diethyl [(1R,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] phosphate
CID 14415571
diethyl [(Z,2S)-oct-3-en-2-yl] phosphate
CID 46850470
[(1S)-cyclohex-2-en-1-yl] diethyl phosphate
CID 132515185
[(1R,5R)-1-deuterio-5-methylcyclohex-2-en-1-yl] diethyl phosphate
CID 134842119
diethyl [(1S,5R)-5-methylcyclohex-2-en-1-yl] phosphate
CID 134860073
(1-Deuteriocyclohex-2-en-1-yl) diethyl phosphate
CID 134860192

Frequently Asked Questions

What is the IUPAC name of [(E)-dec-6-en-5-yl]oxy-[(2R)-2-methylbutoxy]-oxophosphanium?
The IUPAC name of [(E)-dec-6-en-5-yl]oxy-[(2R)-2-methylbutoxy]-oxophosphanium (CID 134969438) is [(E)-dec-6-en-5-yl]oxy-[(2R)-2-methylbutoxy]-oxophosphanium.
What is the SMILES notation for [(E)-dec-6-en-5-yl]oxy-[(2R)-2-methylbutoxy]-oxophosphanium?
The canonical SMILES for [(E)-dec-6-en-5-yl]oxy-[(2R)-2-methylbutoxy]-oxophosphanium is CCC/C=C/C(CCCC)O[P+](=O)OC[C@H](C)CC.
What is the InChIKey of [(E)-dec-6-en-5-yl]oxy-[(2R)-2-methylbutoxy]-oxophosphanium?
The InChIKey is BUIBOVJUECMTEF-YREPURNCSA-N. The full InChI is InChI=1S/C15H30O3P/c1-5-8-10-12-15(11-9-6-2)18-19(16)17-13-14(4)7-3/h10,12,14-15H,5-9,11,13H2,1-4H3/q+1/b12-10+/t14-,15?/m1/s1.
What are the key properties of [(E)-dec-6-en-5-yl]oxy-[(2R)-2-methylbutoxy]-oxophosphanium?
[(E)-dec-6-en-5-yl]oxy-[(2R)-2-methylbutoxy]-oxophosphanium has a molecular weight of 289.38 g/mol, XLogP of 5.64, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-dec-6-en-5-yl]oxy-[(2R)-2-methylbutoxy]-oxophosphanium is sourced from PubChem (CID 134969438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).