bis[[(3R)-6-methylheptan-3-yl]oxy]-oxophosphanium

C16H34O3P+ — CID 99675694

IUPACbis[[(3R)-6-methylheptan-3-yl]oxy]-oxophosphanium
SMILESCC[C@H](CCC(C)C)O[P+](=O)O[C@H](CC)CCC(C)C
InChIInChI=1S/C16H34O3P/c1-7-15(11-9-13(3)4)18-20(17)19-16(8-2)12-10-14(5)6/h13-16H,7-12H2,1-6H3/q+1/t15-,16-/m1/s1
InChIKeyLGUDXKJNIMSWJR-HZPDHXFCSA-N
MW305.42 g/mol
LogP6.11
Rot. Bonds12

About bis[[(3R)-6-methylheptan-3-yl]oxy]-oxophosphanium

bis[[(3R)-6-methylheptan-3-yl]oxy]-oxophosphanium (PubChem CID 99675694) has the molecular formula C16H34O3P+ and a molecular weight of 305.42 g/mol. Its IUPAC name is bis[[(3R)-6-methylheptan-3-yl]oxy]-oxophosphanium.

Molecular Properties

Compound Namebis[[(3R)-6-methylheptan-3-yl]oxy]-oxophosphanium
PubChem CID99675694
Molecular FormulaC16H34O3P+
Molecular Weight305.42 g/mol
Exact Mass305.22
IUPAC Namebis[[(3R)-6-methylheptan-3-yl]oxy]-oxophosphanium
SMILESCC[C@H](CCC(C)C)O[P+](=O)O[C@H](CC)CCC(C)C
InChIInChI=1S/C16H34O3P/c1-7-15(11-9-13(3)4)18-20(17)19-16(8-2)12-10-14(5)6/h13-16H,7-12H2,1-6H3/q+1/t15-,16-/m1/s1
InChIKeyLGUDXKJNIMSWJR-HZPDHXFCSA-N
XLogP6.11
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.42
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze bis[[(3R)-6-methylheptan-3-yl]oxy]-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

di(heptan-4-yloxy)-oxophosphanium
CID 57260615
bis(4-aminobutan-2-yloxy)-oxophosphanium
CID 88803000
di(octan-2-yloxy)-oxophosphanium;molybdenum
CID 162055001
3,6-di(propan-2-yloxy)octane
CID 175258426
2-methyl-10-(11-methyldodecan-3-yloxy)dodecane
CID 158091351
2-butan-2-yl-5-methylhexanamide
CID 174491174
bis(1,2-diaminobutoxy)-oxophosphanium
CID 57302111
dihydroxy(oxo)phosphanium;2-methylbutane
CID 87211582
4-methylpentoxy-oxo-propoxyphosphanium
CID 170366726
bis(6-methylheptan-3-yl) 4,5-dichlorobenzene-1,2-dicarboxylate
CID 69125562
oxo-(pentan-3-yloxymethyl)-propan-2-ylphosphanium
CID 126625988
bis(4-hydroxyhexan-3-yloxy)-oxophosphanium
CID 91487781

Frequently Asked Questions

What is the IUPAC name of bis[[(3R)-6-methylheptan-3-yl]oxy]-oxophosphanium?
The IUPAC name of bis[[(3R)-6-methylheptan-3-yl]oxy]-oxophosphanium (CID 99675694) is bis[[(3R)-6-methylheptan-3-yl]oxy]-oxophosphanium.
What is the SMILES notation for bis[[(3R)-6-methylheptan-3-yl]oxy]-oxophosphanium?
The canonical SMILES for bis[[(3R)-6-methylheptan-3-yl]oxy]-oxophosphanium is CC[C@H](CCC(C)C)O[P+](=O)O[C@H](CC)CCC(C)C.
What is the InChIKey of bis[[(3R)-6-methylheptan-3-yl]oxy]-oxophosphanium?
The InChIKey is LGUDXKJNIMSWJR-HZPDHXFCSA-N. The full InChI is InChI=1S/C16H34O3P/c1-7-15(11-9-13(3)4)18-20(17)19-16(8-2)12-10-14(5)6/h13-16H,7-12H2,1-6H3/q+1/t15-,16-/m1/s1.
What are the key properties of bis[[(3R)-6-methylheptan-3-yl]oxy]-oxophosphanium?
bis[[(3R)-6-methylheptan-3-yl]oxy]-oxophosphanium has a molecular weight of 305.42 g/mol, XLogP of 6.11, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis[[(3R)-6-methylheptan-3-yl]oxy]-oxophosphanium is sourced from PubChem (CID 99675694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).