dimethoxy-pentoxy-sulfanylidene-λ5-phosphane

C7H17O3PS — CID 54147848

IUPACdimethoxy-pentoxy-sulfanylidene-λ5-phosphane
SMILESCCCCCOP(=S)(OC)OC
InChIInChI=1S/C7H17O3PS/c1-4-5-6-7-10-11(12,8-2)9-3/h4-7H2,1-3H3
InChIKeyOTAJGFHKIHSXIP-UHFFFAOYSA-N
MW212.25 g/mol
LogP2.71
Rot. Bonds7

About dimethoxy-pentoxy-sulfanylidene-λ5-phosphane

dimethoxy-pentoxy-sulfanylidene-λ5-phosphane (PubChem CID 54147848) has the molecular formula C7H17O3PS and a molecular weight of 212.25 g/mol. Its IUPAC name is dimethoxy-pentoxy-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namedimethoxy-pentoxy-sulfanylidene-λ5-phosphane
PubChem CID54147848
Molecular FormulaC7H17O3PS
Molecular Weight212.25 g/mol
Exact Mass212.06
IUPAC Namedimethoxy-pentoxy-sulfanylidene-λ5-phosphane
SMILESCCCCCOP(=S)(OC)OC
InChIInChI=1S/C7H17O3PS/c1-4-5-6-7-10-11(12,8-2)9-3/h4-7H2,1-3H3
InChIKeyOTAJGFHKIHSXIP-UHFFFAOYSA-N
XLogP2.71
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.71
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

azane;tripentoxy(sulfanylidene)-λ5-phosphane
CID 88758051
di(nonoxy)-sulfanyl-sulfanylidene-λ5-phosphane
CID 3816158
dodecoxy-bis(sulfanyl)-sulfanylidene-λ5-phosphane
CID 21217451
octadecoxy-bis(sulfanyl)-sulfanylidene-λ5-phosphane
CID 21217594
hexoxy-octoxy-sulfanylidene-sulfido-λ5-phosphane
CID 168851280
CID 158562006
CID 158562006
calcium bis(dihexoxy-sulfanylidene-sulfido-λ5-phosphane)
CID 87237721
(dihexadecoxyphosphinothioyldisulfanyl)-dihexadecoxy-sulfanylidene-λ5-phosphane
CID 12599758
potassium dihexoxy-sulfanylidene-sulfido-lambda5-phosphane
CID 18679
tetrakis(dioctoxy-sulfanylidene-sulfido-λ5-phosphane);molybdenum(4+)
CID 174201845
butoxy-octoxy-sulfanyl-sulfanylidene-λ5-phosphane;zinc
CID 174854596
barium(2+);diheptoxy-sulfanyl-sulfanylidene-λ5-phosphane;hydride
CID 174264206

Frequently Asked Questions

What is the IUPAC name of dimethoxy-pentoxy-sulfanylidene-λ5-phosphane?
The IUPAC name of dimethoxy-pentoxy-sulfanylidene-λ5-phosphane (CID 54147848) is dimethoxy-pentoxy-sulfanylidene-λ5-phosphane.
What is the SMILES notation for dimethoxy-pentoxy-sulfanylidene-λ5-phosphane?
The canonical SMILES for dimethoxy-pentoxy-sulfanylidene-λ5-phosphane is CCCCCOP(=S)(OC)OC.
What is the InChIKey of dimethoxy-pentoxy-sulfanylidene-λ5-phosphane?
The InChIKey is OTAJGFHKIHSXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17O3PS/c1-4-5-6-7-10-11(12,8-2)9-3/h4-7H2,1-3H3.
What are the key properties of dimethoxy-pentoxy-sulfanylidene-λ5-phosphane?
dimethoxy-pentoxy-sulfanylidene-λ5-phosphane has a molecular weight of 212.25 g/mol, XLogP of 2.71, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethoxy-pentoxy-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 54147848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).