cyclooctyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone

C18H30O2S — CID 80609661

IUPACcyclooctyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone
SMILESO=C(C1CCCCCCC1)C1CCOC2(CCSCC2)C1
InChIInChI=1S/C18H30O2S/c19-17(15-6-4-2-1-3-5-7-15)16-8-11-20-18(14-16)9-12-21-13-10-18/h15-16H,1-14H2
InChIKeyYDNWTWFQXCARDT-UHFFFAOYSA-N
MW310.50 g/mol
LogP4.61
Rot. Bonds2

About cyclooctyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone

cyclooctyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone (PubChem CID 80609661) has the molecular formula C18H30O2S and a molecular weight of 310.50 g/mol. Its IUPAC name is cyclooctyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone.

Molecular Properties

Compound Namecyclooctyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone
PubChem CID80609661
Molecular FormulaC18H30O2S
Molecular Weight310.50 g/mol
Exact Mass310.20
IUPAC Namecyclooctyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone
SMILESO=C(C1CCCCCCC1)C1CCOC2(CCSCC2)C1
InChIInChI=1S/C18H30O2S/c19-17(15-6-4-2-1-3-5-7-15)16-8-11-20-18(14-16)9-12-21-13-10-18/h15-16H,1-14H2
InChIKeyYDNWTWFQXCARDT-UHFFFAOYSA-N
XLogP4.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.50
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclohexyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone
CID 79913237
oxan-3-yl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone
CID 79921446
cyclopentyl(6-oxaspiro[4.5]decan-9-yl)methanone
CID 79913745
1-oxa-9-thiaspiro[5.5]undecan-4-yl(thiolan-2-yl)methanone
CID 80622871
2-cyclohexylsulfanyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanone
CID 79909160
3-cyclohexyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-one
CID 115788253
2-cyclopentyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanone
CID 115788317
2,2-dimethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-one
CID 79913238
(3-ethylcyclohexyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
CID 79920973
(3-amino-2-bicyclo[2.2.1]heptanyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone
CID 116580845
(2-methylcyclopropyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
CID 79921070
(2,2-dimethylcyclopropyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
CID 107003974

Frequently Asked Questions

What is the IUPAC name of cyclooctyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone?
The IUPAC name of cyclooctyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone (CID 80609661) is cyclooctyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone.
What is the SMILES notation for cyclooctyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone?
The canonical SMILES for cyclooctyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone is O=C(C1CCCCCCC1)C1CCOC2(CCSCC2)C1.
What is the InChIKey of cyclooctyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone?
The InChIKey is YDNWTWFQXCARDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O2S/c19-17(15-6-4-2-1-3-5-7-15)16-8-11-20-18(14-16)9-12-21-13-10-18/h15-16H,1-14H2.
What are the key properties of cyclooctyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone?
cyclooctyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone has a molecular weight of 310.50 g/mol, XLogP of 4.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclooctyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone is sourced from PubChem (CID 80609661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).