di(octan-2-yloxy)-oxophosphanium;molybdenum

C16H34MoO3P+ — CID 162055001

IUPACdi(octan-2-yloxy)-oxophosphanium;molybdenum
SMILESCCCCCCC(C)O[P+](=O)OC(C)CCCCCC.[Mo]
InChIInChI=1S/C16H34O3P.Mo/c1-5-7-9-11-13-15(3)18-20(17)19-16(4)14-12-10-8-6-2;/h15-16H,5-14H2,1-4H3;/q+1;
InChIKeySQKKSWBRBVRUMX-UHFFFAOYSA-N
MW401.36 g/mol
LogP6.39
Rot. Bonds14

About di(octan-2-yloxy)-oxophosphanium;molybdenum

di(octan-2-yloxy)-oxophosphanium;molybdenum (PubChem CID 162055001) has the molecular formula C16H34MoO3P+ and a molecular weight of 401.36 g/mol. Its IUPAC name is di(octan-2-yloxy)-oxophosphanium;molybdenum.

Molecular Properties

Compound Namedi(octan-2-yloxy)-oxophosphanium;molybdenum
PubChem CID162055001
Molecular FormulaC16H34MoO3P+
Molecular Weight401.36 g/mol
Exact Mass403.13
IUPAC Namedi(octan-2-yloxy)-oxophosphanium;molybdenum
SMILESCCCCCCC(C)O[P+](=O)OC(C)CCCCCC.[Mo]
InChIInChI=1S/C16H34O3P.Mo/c1-5-7-9-11-13-15(3)18-20(17)19-16(4)14-12-10-8-6-2;/h15-16H,5-14H2,1-4H3;/q+1;
InChIKeySQKKSWBRBVRUMX-UHFFFAOYSA-N
XLogP6.39
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.36
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

octan-2-yloxy-oxido-oxophosphanium
CID 71332978
neodymium;octan-2-yl-octan-2-yloxy-oxophosphanium
CID 87549293
O-hexadecan-2-ylhydroxylamine
CID 18799052
tetradecan-2-yloxysilane
CID 173015270
2-ethoxytridecane
CID 54143367
di(octan-2-yloxy)-oxoazanium
CID 57229346
1-octan-2-yloxydecane
CID 86220707
di(undecan-2-yloxy)silane
CID 123423274
di(decan-2-yloxy)silane
CID 123195552
1-nonan-2-yloxyoctadecane
CID 88815684
bis[(2R)-octan-2-yl] [(2S)-octan-2-yl] borate
CID 99771040
2-decoxyundecane
CID 151498473

Frequently Asked Questions

What is the IUPAC name of di(octan-2-yloxy)-oxophosphanium;molybdenum?
The IUPAC name of di(octan-2-yloxy)-oxophosphanium;molybdenum (CID 162055001) is di(octan-2-yloxy)-oxophosphanium;molybdenum.
What is the SMILES notation for di(octan-2-yloxy)-oxophosphanium;molybdenum?
The canonical SMILES for di(octan-2-yloxy)-oxophosphanium;molybdenum is CCCCCCC(C)O[P+](=O)OC(C)CCCCCC.[Mo].
What is the InChIKey of di(octan-2-yloxy)-oxophosphanium;molybdenum?
The InChIKey is SQKKSWBRBVRUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O3P.Mo/c1-5-7-9-11-13-15(3)18-20(17)19-16(4)14-12-10-8-6-2;/h15-16H,5-14H2,1-4H3;/q+1;.
What are the key properties of di(octan-2-yloxy)-oxophosphanium;molybdenum?
di(octan-2-yloxy)-oxophosphanium;molybdenum has a molecular weight of 401.36 g/mol, XLogP of 6.39, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for di(octan-2-yloxy)-oxophosphanium;molybdenum is sourced from PubChem (CID 162055001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).