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

C13H24OS — CID 59278935

IUPAC7-ethyl-8,9,10-trimethyl-1-oxa-6-thiaspiro[4.5]decane
SMILESCCC1SC2(CCCO2)C(C)C(C)C1C
InChIInChI=1S/C13H24OS/c1-5-12-10(3)9(2)11(4)13(15-12)7-6-8-14-13/h9-12H,5-8H2,1-4H3
InChIKeyHRFQVVNJCOCNFQ-UHFFFAOYSA-N
MW228.40 g/mol
LogP3.93
Rot. Bonds1

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

7-ethyl-8,9,10-trimethyl-1-oxa-6-thiaspiro[4.5]decane (PubChem CID 59278935) has the molecular formula C13H24OS and a molecular weight of 228.40 g/mol. Its IUPAC name is 7-ethyl-8,9,10-trimethyl-1-oxa-6-thiaspiro[4.5]decane.

Molecular Properties

Compound Name7-ethyl-8,9,10-trimethyl-1-oxa-6-thiaspiro[4.5]decane
PubChem CID59278935
Molecular FormulaC13H24OS
Molecular Weight228.40 g/mol
Exact Mass228.15
IUPAC Name7-ethyl-8,9,10-trimethyl-1-oxa-6-thiaspiro[4.5]decane
SMILESCCC1SC2(CCCO2)C(C)C(C)C1C
InChIInChI=1S/C13H24OS/c1-5-12-10(3)9(2)11(4)13(15-12)7-6-8-14-13/h9-12H,5-8H2,1-4H3
InChIKeyHRFQVVNJCOCNFQ-UHFFFAOYSA-N
XLogP3.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.40
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-8,9,10-trimethyl-1-oxa-6-thiaspiro[4.5]decane?
The IUPAC name of 7-ethyl-8,9,10-trimethyl-1-oxa-6-thiaspiro[4.5]decane (CID 59278935) is 7-ethyl-8,9,10-trimethyl-1-oxa-6-thiaspiro[4.5]decane.
What is the SMILES notation for 7-ethyl-8,9,10-trimethyl-1-oxa-6-thiaspiro[4.5]decane?
The canonical SMILES for 7-ethyl-8,9,10-trimethyl-1-oxa-6-thiaspiro[4.5]decane is CCC1SC2(CCCO2)C(C)C(C)C1C.
What is the InChIKey of 7-ethyl-8,9,10-trimethyl-1-oxa-6-thiaspiro[4.5]decane?
The InChIKey is HRFQVVNJCOCNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24OS/c1-5-12-10(3)9(2)11(4)13(15-12)7-6-8-14-13/h9-12H,5-8H2,1-4H3.
What are the key properties of 7-ethyl-8,9,10-trimethyl-1-oxa-6-thiaspiro[4.5]decane?
7-ethyl-8,9,10-trimethyl-1-oxa-6-thiaspiro[4.5]decane has a molecular weight of 228.40 g/mol, XLogP of 3.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-8,9,10-trimethyl-1-oxa-6-thiaspiro[4.5]decane is sourced from PubChem (CID 59278935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).