didodecoxy(phenylsulfanyl)phosphane

C30H55O2PS — CID 169021421

IUPACdidodecoxy(phenylsulfanyl)phosphane
SMILESCCCCCCCCCCCCOP(OCCCCCCCCCCCC)Sc1ccccc1
InChIInChI=1S/C30H55O2PS/c1-3-5-7-9-11-13-15-17-19-24-28-31-33(34-30-26-22-21-23-27-30)32-29-25-20-18-16-14-12-10-8-6-4-2/h21-23,26-27H,3-20,24-25,28-29H2,1-2H3
InChIKeyZFWMQDMGOMMQDZ-UHFFFAOYSA-N
MW510.81 g/mol
LogP11.88
Rot. Bonds26

About didodecoxy(phenylsulfanyl)phosphane

didodecoxy(phenylsulfanyl)phosphane (PubChem CID 169021421) has the molecular formula C30H55O2PS and a molecular weight of 510.81 g/mol. Its IUPAC name is didodecoxy(phenylsulfanyl)phosphane.

Molecular Properties

Compound Namedidodecoxy(phenylsulfanyl)phosphane
PubChem CID169021421
Molecular FormulaC30H55O2PS
Molecular Weight510.81 g/mol
Exact Mass510.37
IUPAC Namedidodecoxy(phenylsulfanyl)phosphane
SMILESCCCCCCCCCCCCOP(OCCCCCCCCCCCC)Sc1ccccc1
InChIInChI=1S/C30H55O2PS/c1-3-5-7-9-11-13-15-17-19-24-28-31-33(34-30-26-22-21-23-27-30)32-29-25-20-18-16-14-12-10-8-6-4-2/h21-23,26-27H,3-20,24-25,28-29H2,1-2H3
InChIKeyZFWMQDMGOMMQDZ-UHFFFAOYSA-N
XLogP11.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds26
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.81
LogP ≤ 511.88
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

pentoxysulfanylbenzene
CID 10921472
heptoxy(phenyl)phosphinous acid
CID 12959801
ethoxy-hexoxy-phenylphosphane
CID 154163043
nickel;octylsulfanylbenzene
CID 157277722
2-pentoxyethylsulfanylbenzene
CID 79403621
pentoxybenzene;undecane
CID 174778179
1,1'-biphenyl;ethyl hexyl hydrogen phosphite
CID 67071902
benzyl hexyl hydrogen phosphite
CID 174676176
diphenyl 13-tridecoxytridecyl phosphite
CID 101311954
diphenyl 11-undecoxyundecyl phosphite
CID 101311931
benzyl dodecyl hydrogen phosphite
CID 161198417
dihexyl-(phenyldisulfanyl)phosphane
CID 141103524

Frequently Asked Questions

What is the IUPAC name of didodecoxy(phenylsulfanyl)phosphane?
The IUPAC name of didodecoxy(phenylsulfanyl)phosphane (CID 169021421) is didodecoxy(phenylsulfanyl)phosphane.
What is the SMILES notation for didodecoxy(phenylsulfanyl)phosphane?
The canonical SMILES for didodecoxy(phenylsulfanyl)phosphane is CCCCCCCCCCCCOP(OCCCCCCCCCCCC)Sc1ccccc1.
What is the InChIKey of didodecoxy(phenylsulfanyl)phosphane?
The InChIKey is ZFWMQDMGOMMQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H55O2PS/c1-3-5-7-9-11-13-15-17-19-24-28-31-33(34-30-26-22-21-23-27-30)32-29-25-20-18-16-14-12-10-8-6-4-2/h21-23,26-27H,3-20,24-25,28-29H2,1-2H3.
What are the key properties of didodecoxy(phenylsulfanyl)phosphane?
didodecoxy(phenylsulfanyl)phosphane has a molecular weight of 510.81 g/mol, XLogP of 11.88, 26 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for didodecoxy(phenylsulfanyl)phosphane is sourced from PubChem (CID 169021421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).