[dodecoxy-[dodecoxy(hydroxy)phosphinothioyl]oxyphosphinothioyl] carbamate;molybdenum

C25H53MoNO6P2S2 — CID 175308885

IUPAC[dodecoxy-[dodecoxy(hydroxy)phosphinothioyl]oxyphosphinothioyl] carbamate;molybdenum
SMILESCCCCCCCCCCCCOP(O)(=S)OP(=S)(OCCCCCCCCCCCC)OC(N)=O.[Mo]
InChIInChI=1S/C25H53NO6P2S2.Mo/c1-3-5-7-9-11-13-15-17-19-21-23-29-33(28,35)32-34(36,31-25(26)27)30-24-22-20-18-16-14-12-10-8-6-4-2;/h3-24H2,1-2H3,(H2,26,27)(H,28,35);
InChIKeyLLXAWGFALIGAEN-UHFFFAOYSA-N
MW685.72 g/mol
LogP9.41
Rot. Bonds27

About [dodecoxy-[dodecoxy(hydroxy)phosphinothioyl]oxyphosphinothioyl] carbamate;molybdenum

[dodecoxy-[dodecoxy(hydroxy)phosphinothioyl]oxyphosphinothioyl] carbamate;molybdenum (PubChem CID 175308885) has the molecular formula C25H53MoNO6P2S2 and a molecular weight of 685.72 g/mol. Its IUPAC name is [dodecoxy-[dodecoxy(hydroxy)phosphinothioyl]oxyphosphinothioyl] carbamate;molybdenum.

Molecular Properties

Compound Name[dodecoxy-[dodecoxy(hydroxy)phosphinothioyl]oxyphosphinothioyl] carbamate;molybdenum
PubChem CID175308885
Molecular FormulaC25H53MoNO6P2S2
Molecular Weight685.72 g/mol
Exact Mass687.18
IUPAC Name[dodecoxy-[dodecoxy(hydroxy)phosphinothioyl]oxyphosphinothioyl] carbamate;molybdenum
SMILESCCCCCCCCCCCCOP(O)(=S)OP(=S)(OCCCCCCCCCCCC)OC(N)=O.[Mo]
InChIInChI=1S/C25H53NO6P2S2.Mo/c1-3-5-7-9-11-13-15-17-19-21-23-29-33(28,35)32-34(36,31-25(26)27)30-24-22-20-18-16-14-12-10-8-6-4-2;/h3-24H2,1-2H3,(H2,26,27)(H,28,35);
InChIKeyLLXAWGFALIGAEN-UHFFFAOYSA-N
XLogP9.41
TPSA100.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds27
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500685.72
LogP ≤ 59.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

butoxy-hexoxy-hydroxy-sulfanylidene-λ5-phosphane
CID 89235788
acetamide;dihydroxy-pentoxy-sulfanylidene-λ5-phosphane
CID 88762245
[hexoxy(hydroxy)phosphinothioyl]oxy dihydrogen phosphate
CID 88808083
hydroxy-pentoxy-propylperoxy-sulfanylidene-λ5-phosphane
CID 151457412
azane;tripentoxy(sulfanylidene)-λ5-phosphane
CID 88758051
octacosyl carbamate
CID 160925840
O-[hydroxy-[(E)-octadec-9-enoxy]phosphinothioyl]hydroxylamine
CID 89066232
heptadecyl carbamoperoxoate
CID 90932133
fluoro-hydroxy-sulfanylidene-tridecoxy-λ5-phosphane
CID 87279187
diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane;ethyl hexyl hydrogen phosphate;zinc
CID 88510705
pentatriacontyl dihydrogen phosphate
CID 164897229
octatriacontyl dihydrogen phosphate
CID 140979287

Frequently Asked Questions

What is the IUPAC name of [dodecoxy-[dodecoxy(hydroxy)phosphinothioyl]oxyphosphinothioyl] carbamate;molybdenum?
The IUPAC name of [dodecoxy-[dodecoxy(hydroxy)phosphinothioyl]oxyphosphinothioyl] carbamate;molybdenum (CID 175308885) is [dodecoxy-[dodecoxy(hydroxy)phosphinothioyl]oxyphosphinothioyl] carbamate;molybdenum.
What is the SMILES notation for [dodecoxy-[dodecoxy(hydroxy)phosphinothioyl]oxyphosphinothioyl] carbamate;molybdenum?
The canonical SMILES for [dodecoxy-[dodecoxy(hydroxy)phosphinothioyl]oxyphosphinothioyl] carbamate;molybdenum is CCCCCCCCCCCCOP(O)(=S)OP(=S)(OCCCCCCCCCCCC)OC(N)=O.[Mo].
What is the InChIKey of [dodecoxy-[dodecoxy(hydroxy)phosphinothioyl]oxyphosphinothioyl] carbamate;molybdenum?
The InChIKey is LLXAWGFALIGAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H53NO6P2S2.Mo/c1-3-5-7-9-11-13-15-17-19-21-23-29-33(28,35)32-34(36,31-25(26)27)30-24-22-20-18-16-14-12-10-8-6-4-2;/h3-24H2,1-2H3,(H2,26,27)(H,28,35);.
What are the key properties of [dodecoxy-[dodecoxy(hydroxy)phosphinothioyl]oxyphosphinothioyl] carbamate;molybdenum?
[dodecoxy-[dodecoxy(hydroxy)phosphinothioyl]oxyphosphinothioyl] carbamate;molybdenum has a molecular weight of 685.72 g/mol, XLogP of 9.41, 27 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [dodecoxy-[dodecoxy(hydroxy)phosphinothioyl]oxyphosphinothioyl] carbamate;molybdenum is sourced from PubChem (CID 175308885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).