1-oxa-9-thiaspiro[4.5]decane

C8H14OS — CID 118209610

IUPAC1-oxa-9-thiaspiro[4.5]decane
SMILESC1COC2(C1)CCCSC2
InChIInChI=1S/C8H14OS/c1-3-8(9-5-1)4-2-6-10-7-8/h1-7H2
InChIKeyBNPAEPZXJUXRBI-UHFFFAOYSA-N
MW158.27 g/mol
LogP2.06
Rot. Bonds

About 1-oxa-9-thiaspiro[4.5]decane

1-oxa-9-thiaspiro[4.5]decane (PubChem CID 118209610) has the molecular formula C8H14OS and a molecular weight of 158.27 g/mol. Its IUPAC name is 1-oxa-9-thiaspiro[4.5]decane.

Molecular Properties

Compound Name1-oxa-9-thiaspiro[4.5]decane
PubChem CID118209610
Molecular FormulaC8H14OS
Molecular Weight158.27 g/mol
Exact Mass158.08
IUPAC Name1-oxa-9-thiaspiro[4.5]decane
SMILESC1COC2(C1)CCCSC2
InChIInChI=1S/C8H14OS/c1-3-8(9-5-1)4-2-6-10-7-8/h1-7H2
InChIKeyBNPAEPZXJUXRBI-UHFFFAOYSA-N
XLogP2.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-oxa-9-thiaspiro[4.5]decane?
The IUPAC name of 1-oxa-9-thiaspiro[4.5]decane (CID 118209610) is 1-oxa-9-thiaspiro[4.5]decane.
What is the SMILES notation for 1-oxa-9-thiaspiro[4.5]decane?
The canonical SMILES for 1-oxa-9-thiaspiro[4.5]decane is C1COC2(C1)CCCSC2.
What is the InChIKey of 1-oxa-9-thiaspiro[4.5]decane?
The InChIKey is BNPAEPZXJUXRBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14OS/c1-3-8(9-5-1)4-2-6-10-7-8/h1-7H2.
What are the key properties of 1-oxa-9-thiaspiro[4.5]decane?
1-oxa-9-thiaspiro[4.5]decane has a molecular weight of 158.27 g/mol, XLogP of 2.06, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxa-9-thiaspiro[4.5]decane is sourced from PubChem (CID 118209610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).