cyclohexyloxy-nonoxy-sulfanyl-sulfanylidene-λ5-phosphane

C15H31O2PS2 — CID 174457539

IUPACcyclohexyloxy-nonoxy-sulfanyl-sulfanylidene-λ5-phosphane
SMILESCCCCCCCCCOP(=S)(S)OC1CCCCC1
InChIInChI=1S/C15H31O2PS2/c1-2-3-4-5-6-7-11-14-16-18(19,20)17-15-12-9-8-10-13-15/h15H,2-14H2,1H3,(H,19,20)
InChIKeyYGPVYHZOYUFHHC-UHFFFAOYSA-N
MW338.52 g/mol
LogP6.26
Rot. Bonds11

About cyclohexyloxy-nonoxy-sulfanyl-sulfanylidene-λ5-phosphane

cyclohexyloxy-nonoxy-sulfanyl-sulfanylidene-λ5-phosphane (PubChem CID 174457539) has the molecular formula C15H31O2PS2 and a molecular weight of 338.52 g/mol. Its IUPAC name is cyclohexyloxy-nonoxy-sulfanyl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namecyclohexyloxy-nonoxy-sulfanyl-sulfanylidene-λ5-phosphane
PubChem CID174457539
Molecular FormulaC15H31O2PS2
Molecular Weight338.52 g/mol
Exact Mass338.15
IUPAC Namecyclohexyloxy-nonoxy-sulfanyl-sulfanylidene-λ5-phosphane
SMILESCCCCCCCCCOP(=S)(S)OC1CCCCC1
InChIInChI=1S/C15H31O2PS2/c1-2-3-4-5-6-7-11-14-16-18(19,20)17-15-12-9-8-10-13-15/h15H,2-14H2,1H3,(H,19,20)
InChIKeyYGPVYHZOYUFHHC-UHFFFAOYSA-N
XLogP6.26
TPSA18.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.52
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

di(nonoxy)-sulfanyl-sulfanylidene-λ5-phosphane
CID 3816158
CID 158562006
CID 158562006
cyclohexyl nonyl hydrogen phosphate
CID 163645473
cyclohexyl decyl phosphate
CID 23362679
butoxy-octoxy-sulfanyl-sulfanylidene-λ5-phosphane;zinc
CID 174854596
barium(2+);diheptoxy-sulfanyl-sulfanylidene-λ5-phosphane;hydride
CID 174264206
dodecoxy-bis(sulfanyl)-sulfanylidene-λ5-phosphane
CID 21217451
octadecoxy-bis(sulfanyl)-sulfanylidene-λ5-phosphane
CID 21217594
cyclohexyloxy-decylsulfanyl-hydroxy-sulfanylidene-λ5-phosphane
CID 21217479
bis[2-(2-octadecoxyethoxy)ethoxy]-sulfanyl-sulfanylidene-λ5-phosphane
CID 21416363
cyclohexylsulfanyl-hydroxy-pentoxy-sulfanylidene-λ5-phosphane
CID 159730060
[butoxy(butyl)phosphoryl]oxycyclohexane
CID 87506579

Frequently Asked Questions

What is the IUPAC name of cyclohexyloxy-nonoxy-sulfanyl-sulfanylidene-λ5-phosphane?
The IUPAC name of cyclohexyloxy-nonoxy-sulfanyl-sulfanylidene-λ5-phosphane (CID 174457539) is cyclohexyloxy-nonoxy-sulfanyl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for cyclohexyloxy-nonoxy-sulfanyl-sulfanylidene-λ5-phosphane?
The canonical SMILES for cyclohexyloxy-nonoxy-sulfanyl-sulfanylidene-λ5-phosphane is CCCCCCCCCOP(=S)(S)OC1CCCCC1.
What is the InChIKey of cyclohexyloxy-nonoxy-sulfanyl-sulfanylidene-λ5-phosphane?
The InChIKey is YGPVYHZOYUFHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31O2PS2/c1-2-3-4-5-6-7-11-14-16-18(19,20)17-15-12-9-8-10-13-15/h15H,2-14H2,1H3,(H,19,20).
What are the key properties of cyclohexyloxy-nonoxy-sulfanyl-sulfanylidene-λ5-phosphane?
cyclohexyloxy-nonoxy-sulfanyl-sulfanylidene-λ5-phosphane has a molecular weight of 338.52 g/mol, XLogP of 6.26, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyloxy-nonoxy-sulfanyl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 174457539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).