8-ethyl-10-phenylmethoxy-9-oxa-1,5-dithiaspiro[5.5]undecane

C17H24O2S2 — CID 10829854

IUPAC8-ethyl-10-phenylmethoxy-9-oxa-1,5-dithiaspiro[5.5]undecane
SMILESCCC1CC2(CC(OCc3ccccc3)O1)SCCCS2
InChIInChI=1S/C17H24O2S2/c1-2-15-11-17(20-9-6-10-21-17)12-16(19-15)18-13-14-7-4-3-5-8-14/h3-5,7-8,15-16H,2,6,9-13H2,1H3
InChIKeyRNZWAMIKBYJLIJ-UHFFFAOYSA-N
MW324.51 g/mol
LogP4.68
Rot. Bonds4

About 8-ethyl-10-phenylmethoxy-9-oxa-1,5-dithiaspiro[5.5]undecane

8-ethyl-10-phenylmethoxy-9-oxa-1,5-dithiaspiro[5.5]undecane (PubChem CID 10829854) has the molecular formula C17H24O2S2 and a molecular weight of 324.51 g/mol. Its IUPAC name is 8-ethyl-10-phenylmethoxy-9-oxa-1,5-dithiaspiro[5.5]undecane.

Molecular Properties

Compound Name8-ethyl-10-phenylmethoxy-9-oxa-1,5-dithiaspiro[5.5]undecane
PubChem CID10829854
Molecular FormulaC17H24O2S2
Molecular Weight324.51 g/mol
Exact Mass324.12
IUPAC Name8-ethyl-10-phenylmethoxy-9-oxa-1,5-dithiaspiro[5.5]undecane
SMILESCCC1CC2(CC(OCc3ccccc3)O1)SCCCS2
InChIInChI=1S/C17H24O2S2/c1-2-15-11-17(20-9-6-10-21-17)12-16(19-15)18-13-14-7-4-3-5-8-14/h3-5,7-8,15-16H,2,6,9-13H2,1H3
InChIKeyRNZWAMIKBYJLIJ-UHFFFAOYSA-N
XLogP4.68
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.51
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl-[[(8R,9S,10S,11R)-8-[tert-butyl(dimethyl)silyl]oxy-9,10-bis(phenylmethoxy)-1,5-dithiaspiro[5.6]dodecan-11-yl]oxy]-dimethylsilane
CID 11319886
methyl 2-[(8S,10S)-10-(2-methyl-1-phenylmethoxypropan-2-yl)-9-oxa-1,5-dithiaspiro[5.5]undecan-8-yl]acetate
CID 102483787
2-(fluoromethyl)-6-phenylmethoxyoxane
CID 101184720
(2R,3R,4S,5R,6R)-2-(1-adamantyloxy)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxane
CID 165103562
2-methyl-6-phenylmethoxyoxane
CID 85344658
(2R,3R,5R)-5-ethyl-3-methyl-4-phenylmethoxyoxolan-2-ol
CID 121322520
(2R,3R,5S)-2-ethyl-5-fluoro-4-methyl-3-phenylmethoxyoxolane
CID 122695335
2-phenylmethoxy-6-(phenylmethoxymethyl)oxane
CID 74402872
5-ethyl-3,4-bis(phenylmethoxy)oxolan-2-ol
CID 20743032
(3R,4S,5R,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-ol
CID 67471371
(2R,3R,4S,5R,6R)-2-chloro-6-ethyl-3,4,5-tris(phenylmethoxy)oxane
CID 58242550
(6S)-2-ethyl-6-(phenylmethoxymethyl)oxane
CID 139257658

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-10-phenylmethoxy-9-oxa-1,5-dithiaspiro[5.5]undecane?
The IUPAC name of 8-ethyl-10-phenylmethoxy-9-oxa-1,5-dithiaspiro[5.5]undecane (CID 10829854) is 8-ethyl-10-phenylmethoxy-9-oxa-1,5-dithiaspiro[5.5]undecane.
What is the SMILES notation for 8-ethyl-10-phenylmethoxy-9-oxa-1,5-dithiaspiro[5.5]undecane?
The canonical SMILES for 8-ethyl-10-phenylmethoxy-9-oxa-1,5-dithiaspiro[5.5]undecane is CCC1CC2(CC(OCc3ccccc3)O1)SCCCS2.
What is the InChIKey of 8-ethyl-10-phenylmethoxy-9-oxa-1,5-dithiaspiro[5.5]undecane?
The InChIKey is RNZWAMIKBYJLIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2S2/c1-2-15-11-17(20-9-6-10-21-17)12-16(19-15)18-13-14-7-4-3-5-8-14/h3-5,7-8,15-16H,2,6,9-13H2,1H3.
What are the key properties of 8-ethyl-10-phenylmethoxy-9-oxa-1,5-dithiaspiro[5.5]undecane?
8-ethyl-10-phenylmethoxy-9-oxa-1,5-dithiaspiro[5.5]undecane has a molecular weight of 324.51 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-10-phenylmethoxy-9-oxa-1,5-dithiaspiro[5.5]undecane is sourced from PubChem (CID 10829854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).