ethane;7-ethyl-8,9,10-trimethyl-1-oxa-6-thiaspiro[4.5]decane;tungsten

C15H29OSW- — CID 162218828

IUPACethane;7-ethyl-8,9,10-trimethyl-1-oxa-6-thiaspiro[4.5]decane;tungsten
SMILESCCC1SC2(CCCO2)C(C)C(C)C1C.[CH2-]C.[W]
InChIInChI=1S/C13H24OS.C2H5.W/c1-5-12-10(3)9(2)11(4)13(15-12)7-6-8-14-13;1-2;/h9-12H,5-8H2,1-4H3;1H2,2H3;/q;-1;
InChIKeyXUPFCPDMLDPRGT-UHFFFAOYSA-N
MW441.30 g/mol
LogP4.76
Rot. Bonds1

About ethane;7-ethyl-8,9,10-trimethyl-1-oxa-6-thiaspiro[4.5]decane;tungsten

ethane;7-ethyl-8,9,10-trimethyl-1-oxa-6-thiaspiro[4.5]decane;tungsten (PubChem CID 162218828) has the molecular formula C15H29OSW- and a molecular weight of 441.30 g/mol. Its IUPAC name is ethane;7-ethyl-8,9,10-trimethyl-1-oxa-6-thiaspiro[4.5]decane;tungsten.

Molecular Properties

Compound Nameethane;7-ethyl-8,9,10-trimethyl-1-oxa-6-thiaspiro[4.5]decane;tungsten
PubChem CID162218828
Molecular FormulaC15H29OSW-
Molecular Weight441.30 g/mol
Exact Mass441.15
IUPAC Nameethane;7-ethyl-8,9,10-trimethyl-1-oxa-6-thiaspiro[4.5]decane;tungsten
SMILESCCC1SC2(CCCO2)C(C)C(C)C1C.[CH2-]C.[W]
InChIInChI=1S/C13H24OS.C2H5.W/c1-5-12-10(3)9(2)11(4)13(15-12)7-6-8-14-13;1-2;/h9-12H,5-8H2,1-4H3;1H2,2H3;/q;-1;
InChIKeyXUPFCPDMLDPRGT-UHFFFAOYSA-N
XLogP4.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.30
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;7-ethyl-8,9,10-trimethyl-1-oxa-6-thiaspiro[4.5]decane;tungsten?
The IUPAC name of ethane;7-ethyl-8,9,10-trimethyl-1-oxa-6-thiaspiro[4.5]decane;tungsten (CID 162218828) is ethane;7-ethyl-8,9,10-trimethyl-1-oxa-6-thiaspiro[4.5]decane;tungsten.
What is the SMILES notation for ethane;7-ethyl-8,9,10-trimethyl-1-oxa-6-thiaspiro[4.5]decane;tungsten?
The canonical SMILES for ethane;7-ethyl-8,9,10-trimethyl-1-oxa-6-thiaspiro[4.5]decane;tungsten is CCC1SC2(CCCO2)C(C)C(C)C1C.[CH2-]C.[W].
What is the InChIKey of ethane;7-ethyl-8,9,10-trimethyl-1-oxa-6-thiaspiro[4.5]decane;tungsten?
The InChIKey is XUPFCPDMLDPRGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24OS.C2H5.W/c1-5-12-10(3)9(2)11(4)13(15-12)7-6-8-14-13;1-2;/h9-12H,5-8H2,1-4H3;1H2,2H3;/q;-1;.
What are the key properties of ethane;7-ethyl-8,9,10-trimethyl-1-oxa-6-thiaspiro[4.5]decane;tungsten?
ethane;7-ethyl-8,9,10-trimethyl-1-oxa-6-thiaspiro[4.5]decane;tungsten has a molecular weight of 441.30 g/mol, XLogP of 4.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-ethyl-8,9,10-trimethyl-1-oxa-6-thiaspiro[4.5]decane;tungsten is sourced from PubChem (CID 162218828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).