didecoxy-decylsulfanyl-sulfanylidene-lambda5-phosphane

C30H63O2PS2 — CID 12598537

IUPACdidecoxy-decylsulfanyl-sulfanylidene-lambda5-phosphane
SMILESCCCCCCCCCCOP(=S)(OCCCCCCCCCC)SCCCCCCCCCC
InChIInChI=1S/C30H63O2PS2/c1-4-7-10-13-16-19-22-25-28-31-33(34,32-29-26-23-20-17-14-11-8-5-2)35-30-27-24-21-18-15-12-9-6-3/h4-30H2,1-3H3
InChIKeyUFXHNGVHKPJIQV-UHFFFAOYSA-N
MW550.94 g/mol
LogP12.40
Rot. Bonds30

About didecoxy-decylsulfanyl-sulfanylidene-lambda5-phosphane

didecoxy-decylsulfanyl-sulfanylidene-lambda5-phosphane (PubChem CID 12598537) has the molecular formula C30H63O2PS2 and a molecular weight of 550.94 g/mol. Its IUPAC name is didecoxy-decylsulfanyl-sulfanylidene-lambda5-phosphane.

Molecular Properties

Compound Namedidecoxy-decylsulfanyl-sulfanylidene-lambda5-phosphane
PubChem CID12598537
Molecular FormulaC30H63O2PS2
Molecular Weight550.94 g/mol
Exact Mass550.40
IUPAC Namedidecoxy-decylsulfanyl-sulfanylidene-lambda5-phosphane
SMILESCCCCCCCCCCOP(=S)(OCCCCCCCCCC)SCCCCCCCCCC
InChIInChI=1S/C30H63O2PS2/c1-4-7-10-13-16-19-22-25-28-31-33(34,32-29-26-23-20-17-14-11-8-5-2)35-30-27-24-21-18-15-12-9-6-3/h4-30H2,1-3H3
InChIKeyUFXHNGVHKPJIQV-UHFFFAOYSA-N
XLogP12.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds30
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.94
LogP ≤ 512.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

CID 141192629
CID 141192629
octoxy-bis(octylsulfanyl)-sulfanylidene-λ5-phosphane
CID 54515285
CID 139924251
CID 139924251
(dihexadecoxyphosphinothioyldisulfanyl)-dihexadecoxy-sulfanylidene-λ5-phosphane
CID 12599758
hydroxy-sulfanylidene-triacontoxy-triacontylsulfanyl-λ5-phosphane
CID 161189025
hydroxy-octoxy-octylsulfanyl-sulfanylidene-λ5-phosphane;zinc
CID 87073233
hydroxy-nonoxy-nonylsulfanyl-sulfanylidene-λ5-phosphane;zinc
CID 87073286
4-dibutoxyphosphinothioylsulfanylbutyl hydrogen sulfate
CID 15851141
hydroxy-pentoxy-pentylsulfanyl-sulfanylidene-λ5-phosphane;zinc
CID 87073414
hydroxy-pentoxy-pentylsulfanyl-sulfanylidene-λ5-phosphane;λ2-plumbane
CID 173386502
dibutoxy-(dibutoxyphosphinothioylsulfanylmethylsulfanyl)-sulfanylidene-lambda5-phosphane
CID 6612212
1-[decylsulfanyl(dodecoxy)phosphoryl]oxydodecane
CID 88718866

Frequently Asked Questions

What is the IUPAC name of didecoxy-decylsulfanyl-sulfanylidene-lambda5-phosphane?
The IUPAC name of didecoxy-decylsulfanyl-sulfanylidene-lambda5-phosphane (CID 12598537) is didecoxy-decylsulfanyl-sulfanylidene-lambda5-phosphane.
What is the SMILES notation for didecoxy-decylsulfanyl-sulfanylidene-lambda5-phosphane?
The canonical SMILES for didecoxy-decylsulfanyl-sulfanylidene-lambda5-phosphane is CCCCCCCCCCOP(=S)(OCCCCCCCCCC)SCCCCCCCCCC.
What is the InChIKey of didecoxy-decylsulfanyl-sulfanylidene-lambda5-phosphane?
The InChIKey is UFXHNGVHKPJIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H63O2PS2/c1-4-7-10-13-16-19-22-25-28-31-33(34,32-29-26-23-20-17-14-11-8-5-2)35-30-27-24-21-18-15-12-9-6-3/h4-30H2,1-3H3.
What are the key properties of didecoxy-decylsulfanyl-sulfanylidene-lambda5-phosphane?
didecoxy-decylsulfanyl-sulfanylidene-lambda5-phosphane has a molecular weight of 550.94 g/mol, XLogP of 12.40, 30 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for didecoxy-decylsulfanyl-sulfanylidene-lambda5-phosphane is sourced from PubChem (CID 12598537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).