2-oxa-6-thiaspiro[4.6]undecane

C9H16OS — CID 118209629

IUPAC2-oxa-6-thiaspiro[4.6]undecane
SMILESC1CCSC2(CC1)CCOC2
InChIInChI=1S/C9H16OS/c1-2-4-9(11-7-3-1)5-6-10-8-9/h1-8H2
InChIKeyFKAVNAACZKFTDX-UHFFFAOYSA-N
MW172.29 g/mol
LogP2.45
Rot. Bonds

About 2-oxa-6-thiaspiro[4.6]undecane

2-oxa-6-thiaspiro[4.6]undecane (PubChem CID 118209629) has the molecular formula C9H16OS and a molecular weight of 172.29 g/mol. Its IUPAC name is 2-oxa-6-thiaspiro[4.6]undecane.

Molecular Properties

Compound Name2-oxa-6-thiaspiro[4.6]undecane
PubChem CID118209629
Molecular FormulaC9H16OS
Molecular Weight172.29 g/mol
Exact Mass172.09
IUPAC Name2-oxa-6-thiaspiro[4.6]undecane
SMILESC1CCSC2(CC1)CCOC2
InChIInChI=1S/C9H16OS/c1-2-4-9(11-7-3-1)5-6-10-8-9/h1-8H2
InChIKeyFKAVNAACZKFTDX-UHFFFAOYSA-N
XLogP2.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.29
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-thia-2-azaspiro[3.6]decane
CID 118210225
2,4,8-trioxaspiro[6.6]tridecane
CID 146474220
7,11-dioxaspiro[5.6]dodecane
CID 122692865
3,3-dimethyl-oxacyclotetradecane
CID 15424844
1-thiaspiro[5.5]undecan-4-amine
CID 82405981
2,5-dioxa-10-thiaspiro[3.7]undecane
CID 118210333
1-oxaspiro[2.7]decane
CID 13240757
2-oxa-6-thiaspiro[3.6]decane
CID 118210443
1,8-dioxaspiro[2.6]nonane
CID 88652146
2,9-dioxaspiro[4.6]undecane
CID 118210519
3-(1-hydroxycyclohexyl)oxolane-3-carbonitrile
CID 79118405
6-oxa-2-azaspiro[3.7]undecane
CID 118209759

Frequently Asked Questions

What is the IUPAC name of 2-oxa-6-thiaspiro[4.6]undecane?
The IUPAC name of 2-oxa-6-thiaspiro[4.6]undecane (CID 118209629) is 2-oxa-6-thiaspiro[4.6]undecane.
What is the SMILES notation for 2-oxa-6-thiaspiro[4.6]undecane?
The canonical SMILES for 2-oxa-6-thiaspiro[4.6]undecane is C1CCSC2(CC1)CCOC2.
What is the InChIKey of 2-oxa-6-thiaspiro[4.6]undecane?
The InChIKey is FKAVNAACZKFTDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16OS/c1-2-4-9(11-7-3-1)5-6-10-8-9/h1-8H2.
What are the key properties of 2-oxa-6-thiaspiro[4.6]undecane?
2-oxa-6-thiaspiro[4.6]undecane has a molecular weight of 172.29 g/mol, XLogP of 2.45, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxa-6-thiaspiro[4.6]undecane is sourced from PubChem (CID 118209629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).