4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-one

C14H22O2S — CID 83261331

IUPAC4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-one
SMILESO=C1CCC(C2CCOC3(CCSC3)C2)CC1
InChIInChI=1S/C14H22O2S/c15-13-3-1-11(2-4-13)12-5-7-16-14(9-12)6-8-17-10-14/h11-12H,1-10H2
InChIKeyMBXASSWDGCSERD-UHFFFAOYSA-N
MW254.39 g/mol
LogP3.05
Rot. Bonds1

About 4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-one

4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-one (PubChem CID 83261331) has the molecular formula C14H22O2S and a molecular weight of 254.39 g/mol. Its IUPAC name is 4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-one.

Molecular Properties

Compound Name4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-one
PubChem CID83261331
Molecular FormulaC14H22O2S
Molecular Weight254.39 g/mol
Exact Mass254.13
IUPAC Name4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-one
SMILESO=C1CCC(C2CCOC3(CCSC3)C2)CC1
InChIInChI=1S/C14H22O2S/c15-13-3-1-11(2-4-13)12-5-7-16-14(9-12)6-8-17-10-14/h11-12H,1-10H2
InChIKeyMBXASSWDGCSERD-UHFFFAOYSA-N
XLogP3.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.39
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexan-1-one
CID 79894647
3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-N-propylcyclohexan-1-amine
CID 79922469
[2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclopentyl]methanamine
CID 81010128
3-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclopentan-1-amine
CID 79923611
5-[(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)methyl]pyrrolidin-2-one
CID 79903904
2-cyclohexylidene-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanone
CID 103457971
N-methyl-3-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cycloheptan-1-amine
CID 79923380
N-[[2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexyl]methyl]ethanamine
CID 81027990
1,1-dimethyl-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)hydrazine
CID 83015202
N-cyclohexyl-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79898216
9-azido-6-oxa-2-thiaspiro[4.5]decane
CID 79894725
cyclobutyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 79921485

Frequently Asked Questions

What is the IUPAC name of 4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-one?
The IUPAC name of 4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-one (CID 83261331) is 4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-one.
What is the SMILES notation for 4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-one?
The canonical SMILES for 4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-one is O=C1CCC(C2CCOC3(CCSC3)C2)CC1.
What is the InChIKey of 4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-one?
The InChIKey is MBXASSWDGCSERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2S/c15-13-3-1-11(2-4-13)12-5-7-16-14(9-12)6-8-17-10-14/h11-12H,1-10H2.
What are the key properties of 4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-one?
4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-one has a molecular weight of 254.39 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-one is sourced from PubChem (CID 83261331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).