1-oxa-4-thiaspiro[4.6]undecane

C9H16OS — CID 9098

IUPAC1-oxa-4-thiaspiro[4.6]undecane
SMILESC1CCCC2(CC1)OCCS2
InChIInChI=1S/C9H16OS/c1-2-4-6-9(5-3-1)10-7-8-11-9/h1-8H2
InChIKeyYMBFOROXKKKJEE-UHFFFAOYSA-N
MW172.29 g/mol
LogP2.80
Rot. Bonds

About 1-oxa-4-thiaspiro[4.6]undecane

1-oxa-4-thiaspiro[4.6]undecane (PubChem CID 9098) has the molecular formula C9H16OS and a molecular weight of 172.29 g/mol. Its IUPAC name is 1-oxa-4-thiaspiro[4.6]undecane.

Molecular Properties

Compound Name1-oxa-4-thiaspiro[4.6]undecane
PubChem CID9098
Molecular FormulaC9H16OS
Molecular Weight172.29 g/mol
Exact Mass172.09
IUPAC Name1-oxa-4-thiaspiro[4.6]undecane
SMILESC1CCCC2(CC1)OCCS2
InChIInChI=1S/C9H16OS/c1-2-4-6-9(5-3-1)10-7-8-11-9/h1-8H2
InChIKeyYMBFOROXKKKJEE-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Oxa-4-thiaspiro[4.11]hexadecane
CID 11345528
Hexahydro-4h-cyclohepta[d][1,3]oxathiole
CID 132280200
2-Heptyl-1,3-oxathiolane
CID 11286935
2-(4-Methylsulfanylbutyl)oxolane
CID 12961729
Bromo-ethyl-methyl-[5-(oxolan-2-yl)pentyl]-lambda4-sulfane
CID 13608277
2-Decoxythiolane
CID 18612363
2-(Thiolan-2-yl)oxane
CID 19768873
5-Methyl-2-pentyl-1,3-oxathiolane
CID 20514308
2-(6-Cyclopentylsulfanylhexyl)oxolane
CID 20531623
3-Decoxythiolane
CID 21116258
2-(3-Methoxypropyl)thiolane
CID 23315791
Diethyl-[4-(oxolan-2-yl)butyl]sulfanium
CID 23326549

Frequently Asked Questions

What is the IUPAC name of 1-oxa-4-thiaspiro[4.6]undecane?
The IUPAC name of 1-oxa-4-thiaspiro[4.6]undecane (CID 9098) is 1-oxa-4-thiaspiro[4.6]undecane.
What is the SMILES notation for 1-oxa-4-thiaspiro[4.6]undecane?
The canonical SMILES for 1-oxa-4-thiaspiro[4.6]undecane is C1CCCC2(CC1)OCCS2.
What is the InChIKey of 1-oxa-4-thiaspiro[4.6]undecane?
The InChIKey is YMBFOROXKKKJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16OS/c1-2-4-6-9(5-3-1)10-7-8-11-9/h1-8H2.
What are the key properties of 1-oxa-4-thiaspiro[4.6]undecane?
1-oxa-4-thiaspiro[4.6]undecane has a molecular weight of 172.29 g/mol, XLogP of 2.80, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxa-4-thiaspiro[4.6]undecane is sourced from PubChem (CID 9098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).