2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexan-1-one

C15H24O2S — CID 79894647

IUPAC2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexan-1-one
SMILESO=C1CCCCC1C1CCOC2(CCSCC2)C1
InChIInChI=1S/C15H24O2S/c16-14-4-2-1-3-13(14)12-5-8-17-15(11-12)6-9-18-10-7-15/h12-13H,1-11H2
InChIKeyBDOGZVRYVRBJET-UHFFFAOYSA-N
MW268.42 g/mol
LogP3.44
Rot. Bonds1

About 2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexan-1-one

2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexan-1-one (PubChem CID 79894647) has the molecular formula C15H24O2S and a molecular weight of 268.42 g/mol. Its IUPAC name is 2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexan-1-one.

Molecular Properties

Compound Name2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexan-1-one
PubChem CID79894647
Molecular FormulaC15H24O2S
Molecular Weight268.42 g/mol
Exact Mass268.15
IUPAC Name2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexan-1-one
SMILESO=C1CCCCC1C1CCOC2(CCSCC2)C1
InChIInChI=1S/C15H24O2S/c16-14-4-2-1-3-13(14)12-5-8-17-15(11-12)6-9-18-10-7-15/h12-13H,1-11H2
InChIKeyBDOGZVRYVRBJET-UHFFFAOYSA-N
XLogP3.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.42
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(6-oxaspiro[4.5]decan-9-yl)cyclohexan-1-one
CID 79894496
4-(6-oxaspiro[4.5]decan-9-yl)thiolan-3-one
CID 83196687
2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexan-1-ol
CID 79911492
4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-one
CID 83261331
4-(2-chlorocyclohexyl)-1-oxa-9-thiaspiro[5.5]undecane
CID 79919680
N-methyl-3-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cycloheptan-1-amine
CID 79923380
4-(2-bromocyclopentyl)-1-oxa-9-thiaspiro[5.5]undecane
CID 79920153
4-ethyl-2-(6-oxaspiro[4.5]decan-9-yl)cyclohexan-1-one
CID 79894723
2-(1-oxaspiro[5.5]undecan-4-yl)-4-propan-2-ylcyclohexan-1-one
CID 79900843
3-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclopentan-1-amine
CID 79923611
3-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidin-2-one
CID 104679174
cyclohexyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone
CID 79913237

Frequently Asked Questions

What is the IUPAC name of 2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexan-1-one?
The IUPAC name of 2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexan-1-one (CID 79894647) is 2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexan-1-one.
What is the SMILES notation for 2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexan-1-one?
The canonical SMILES for 2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexan-1-one is O=C1CCCCC1C1CCOC2(CCSCC2)C1.
What is the InChIKey of 2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexan-1-one?
The InChIKey is BDOGZVRYVRBJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2S/c16-14-4-2-1-3-13(14)12-5-8-17-15(11-12)6-9-18-10-7-15/h12-13H,1-11H2.
What are the key properties of 2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexan-1-one?
2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexan-1-one has a molecular weight of 268.42 g/mol, XLogP of 3.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexan-1-one is sourced from PubChem (CID 79894647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).