9-phenyl-1-oxa-5-thiaspiro[5.5]undecane

C15H20OS — CID 15889392

IUPAC9-phenyl-1-oxa-5-thiaspiro[5.5]undecane
SMILESc1ccc(C2CCC3(CC2)OCCCS3)cc1
InChIInChI=1S/C15H20OS/c1-2-5-13(6-3-1)14-7-9-15(10-8-14)16-11-4-12-17-15/h1-3,5-6,14H,4,7-12H2
InChIKeyMGFKZNBNMILQHP-UHFFFAOYSA-N
MW248.39 g/mol
LogP4.19
Rot. Bonds1

About 9-phenyl-1-oxa-5-thiaspiro[5.5]undecane

9-phenyl-1-oxa-5-thiaspiro[5.5]undecane (PubChem CID 15889392) has the molecular formula C15H20OS and a molecular weight of 248.39 g/mol. Its IUPAC name is 9-phenyl-1-oxa-5-thiaspiro[5.5]undecane.

Molecular Properties

Compound Name9-phenyl-1-oxa-5-thiaspiro[5.5]undecane
PubChem CID15889392
Molecular FormulaC15H20OS
Molecular Weight248.39 g/mol
Exact Mass248.12
IUPAC Name9-phenyl-1-oxa-5-thiaspiro[5.5]undecane
SMILESc1ccc(C2CCC3(CC2)OCCCS3)cc1
InChIInChI=1S/C15H20OS/c1-2-5-13(6-3-1)14-7-9-15(10-8-14)16-11-4-12-17-15/h1-3,5-6,14H,4,7-12H2
InChIKeyMGFKZNBNMILQHP-UHFFFAOYSA-N
XLogP4.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-benzyl-1-oxa-6,10-dithiaspiro[4.5]decane
CID 10084297
2-butoxy-4-phenyl-3,4,5,6-tetrahydro-2H-benzo[h]thiochromene
CID 13402781
5-Phenylsulfanyl-1-oxaspiro[5.5]undecane
CID 15456622
Vusvxipfuymiia-uhfffaoysa-
CID 21578781
3-Phenyl-1,4-oxathiane
CID 15248367
5-(Methoxymethyl)-2-[4-(3,4,5-trifluorophenyl)cyclohexyl]-1,3-oxathiane
CID 122500534
5-But-3-enoxy-2-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]thiane
CID 122500557
5-But-3-enoxy-2-[4-(3,5-difluorophenyl)-3-fluorophenyl]thiane
CID 132263376
(4aR,7R,8aR)-3-benzyl-4,4,7-trimethyl-4a,5,6,7,8,8a-hexahydrobenzo[e][1,3]oxathiin-3-ium
CID 10993891
2-Methyl-2-(2-phenylethyl)-1,3-oxathiolane
CID 23262133
(2S)-2-[(1S)-1-(2-phenyl-1,3-dithian-2-yl)propyl]oxirane
CID 44240358
6-Phenyl-1-oxa-4-thiaspiro[4.6]undecane
CID 129831879

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-1-oxa-5-thiaspiro[5.5]undecane?
The IUPAC name of 9-phenyl-1-oxa-5-thiaspiro[5.5]undecane (CID 15889392) is 9-phenyl-1-oxa-5-thiaspiro[5.5]undecane.
What is the SMILES notation for 9-phenyl-1-oxa-5-thiaspiro[5.5]undecane?
The canonical SMILES for 9-phenyl-1-oxa-5-thiaspiro[5.5]undecane is c1ccc(C2CCC3(CC2)OCCCS3)cc1.
What is the InChIKey of 9-phenyl-1-oxa-5-thiaspiro[5.5]undecane?
The InChIKey is MGFKZNBNMILQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20OS/c1-2-5-13(6-3-1)14-7-9-15(10-8-14)16-11-4-12-17-15/h1-3,5-6,14H,4,7-12H2.
What are the key properties of 9-phenyl-1-oxa-5-thiaspiro[5.5]undecane?
9-phenyl-1-oxa-5-thiaspiro[5.5]undecane has a molecular weight of 248.39 g/mol, XLogP of 4.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-1-oxa-5-thiaspiro[5.5]undecane is sourced from PubChem (CID 15889392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).