3-cyclohexyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-one

C18H30O2S — CID 115788253

IUPAC3-cyclohexyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-one
SMILESO=C(CCC1CCCCC1)C1CCOC2(CCSCC2)C1
InChIInChI=1S/C18H30O2S/c19-17(7-6-15-4-2-1-3-5-15)16-8-11-20-18(14-16)9-12-21-13-10-18/h15-16H,1-14H2
InChIKeyRLCPLMYMDDNYCQ-UHFFFAOYSA-N
MW310.50 g/mol
LogP4.61
Rot. Bonds4

About 3-cyclohexyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-one

3-cyclohexyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-one (PubChem CID 115788253) has the molecular formula C18H30O2S and a molecular weight of 310.50 g/mol. Its IUPAC name is 3-cyclohexyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-one.

Molecular Properties

Compound Name3-cyclohexyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-one
PubChem CID115788253
Molecular FormulaC18H30O2S
Molecular Weight310.50 g/mol
Exact Mass310.20
IUPAC Name3-cyclohexyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-one
SMILESO=C(CCC1CCCCC1)C1CCOC2(CCSCC2)C1
InChIInChI=1S/C18H30O2S/c19-17(7-6-15-4-2-1-3-5-15)16-8-11-20-18(14-16)9-12-21-13-10-18/h15-16H,1-14H2
InChIKeyRLCPLMYMDDNYCQ-UHFFFAOYSA-N
XLogP4.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
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

2-cyclopentyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanone
CID 115788317
1-(5-oxaspiro[3.5]nonan-8-yl)-3-piperidin-4-ylpropan-1-one
CID 116563307
2-cyclohexylsulfanyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanone
CID 79909160
cyclooctyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone
CID 80609661
cyclohexyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone
CID 79913237
4-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pentan-1-one
CID 79913472
4-amino-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pentan-1-one
CID 116571732
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-piperidin-4-ylpropan-1-one
CID 116563375
2-(tert-butylamino)-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanone
CID 116588928
4-amino-4-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-1-one
CID 116571485
3-(tert-butylamino)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-one
CID 116558037
2,2-dimethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-one
CID 79913238

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-one?
The IUPAC name of 3-cyclohexyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-one (CID 115788253) is 3-cyclohexyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-one.
What is the SMILES notation for 3-cyclohexyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-one?
The canonical SMILES for 3-cyclohexyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-one is O=C(CCC1CCCCC1)C1CCOC2(CCSCC2)C1.
What is the InChIKey of 3-cyclohexyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-one?
The InChIKey is RLCPLMYMDDNYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O2S/c19-17(7-6-15-4-2-1-3-5-15)16-8-11-20-18(14-16)9-12-21-13-10-18/h15-16H,1-14H2.
What are the key properties of 3-cyclohexyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-one?
3-cyclohexyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-one has a molecular weight of 310.50 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-one is sourced from PubChem (CID 115788253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).