(6R,8S,14S)-14-(benzenesulfonyl)-5,7,9-trioxadispiro[5.1.58.36]hexadecane

C19H26O5S — CID 134937002

IUPAC(6R,8S,14S)-14-(benzenesulfonyl)-5,7,9-trioxadispiro[5.1.58.36]hexadecane
SMILESO=S(=O)(c1ccccc1)[C@H]1CC[C@@]2(CCCCO2)O[C@@]12CCCCO2
InChIInChI=1S/C19H26O5S/c20-25(21,16-8-2-1-3-9-16)17-10-13-18(11-4-6-14-22-18)24-19(17)12-5-7-15-23-19/h1-3,8-9,17H,4-7,10-15H2/t17-,18+,19-/m0/s1
InChIKeyGXGAVPWGUODVBU-OTWHNJEPSA-N
MW366.48 g/mol
LogP3.43
Rot. Bonds2

About (6R,8S,14S)-14-(benzenesulfonyl)-5,7,9-trioxadispiro[5.1.58.36]hexadecane

(6R,8S,14S)-14-(benzenesulfonyl)-5,7,9-trioxadispiro[5.1.58.36]hexadecane (PubChem CID 134937002) has the molecular formula C19H26O5S and a molecular weight of 366.48 g/mol. Its IUPAC name is (6R,8S,14S)-14-(benzenesulfonyl)-5,7,9-trioxadispiro[5.1.58.36]hexadecane.

Molecular Properties

Compound Name(6R,8S,14S)-14-(benzenesulfonyl)-5,7,9-trioxadispiro[5.1.58.36]hexadecane
PubChem CID134937002
Molecular FormulaC19H26O5S
Molecular Weight366.48 g/mol
Exact Mass366.15
IUPAC Name(6R,8S,14S)-14-(benzenesulfonyl)-5,7,9-trioxadispiro[5.1.58.36]hexadecane
SMILESO=S(=O)(c1ccccc1)[C@H]1CC[C@@]2(CCCCO2)O[C@@]12CCCCO2
InChIInChI=1S/C19H26O5S/c20-25(21,16-8-2-1-3-9-16)17-10-13-18(11-4-6-14-22-18)24-19(17)12-5-7-15-23-19/h1-3,8-9,17H,4-7,10-15H2/t17-,18+,19-/m0/s1
InChIKeyGXGAVPWGUODVBU-OTWHNJEPSA-N
XLogP3.43
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (6R,8S,14S)-14-(benzenesulfonyl)-5,7,9-trioxadispiro[5.1.58.36]hexadecane with MolForge

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Related Compounds

(+-)-endo-7-Ethyl-5-methyl-3-(phenylsulfonyl)-6,8-dioxa-bicyclo[3.2.1]octan
CID 366363
Zqqpczykpljyiy-cvearbpzsa-
CID 11197672
2H-Pyran, 2-[1,1-dimethyl-3-(phenylsulfonyl)propoxy]tetrahydro-
CID 11045209
(2S,6S)-4-methylidene-2-(2-phenylsulfanylethyl)-1,7-dioxaspiro[5.5]undecane
CID 10902799
(2R,3S,6R,8S,9R)-2-[(2S)-1-(benzenesulfonyl)propan-2-yl]-3,9-dimethyl-8-[(3S)-3-methylpent-4-enyl]-1,7-dioxaspiro[5.5]undecane
CID 10939278
(2R,3S,6R,8S,9R)-2-[(2S)-1-(benzenesulfonyl)propan-2-yl]-3,9-dimethyl-8-[(3S)-3-(2-methyl-1,3-dithian-2-yl)butyl]-1,7-dioxaspiro[5.5]undecane
CID 10951812
(2R,4R,5R)-2-methyl-4-[(S)-phenylsulfinyl]-1,10-dioxaspiro[4.5]decane
CID 14212295
(2R,4aR,6S,8aR)-2-(benzenesulfonyl)-6-methoxy-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran
CID 25197716
(3R,6S)-2-[(2R)-1-(benzenesulfonyl)propan-2-yl]-3-methyl-1,7-dioxaspiro[5.5]undecane
CID 134886620
(5S,6S)-5-(4-methylphenyl)sulfonyl-1,7-dioxaspiro[5.5]undecane
CID 134936612
(6S,8S,14S)-14-(benzenesulfonyl)-5,7,9-trioxadispiro[5.1.58.36]hexadecane
CID 134938211
(2S,4S,5S)-4-(benzenesulfinyl)-2-methyl-1,10-dioxaspiro[4.5]decane
CID 135049708

Frequently Asked Questions

What is the IUPAC name of (6R,8S,14S)-14-(benzenesulfonyl)-5,7,9-trioxadispiro[5.1.58.36]hexadecane?
The IUPAC name of (6R,8S,14S)-14-(benzenesulfonyl)-5,7,9-trioxadispiro[5.1.58.36]hexadecane (CID 134937002) is (6R,8S,14S)-14-(benzenesulfonyl)-5,7,9-trioxadispiro[5.1.58.36]hexadecane.
What is the SMILES notation for (6R,8S,14S)-14-(benzenesulfonyl)-5,7,9-trioxadispiro[5.1.58.36]hexadecane?
The canonical SMILES for (6R,8S,14S)-14-(benzenesulfonyl)-5,7,9-trioxadispiro[5.1.58.36]hexadecane is O=S(=O)(c1ccccc1)[C@H]1CC[C@@]2(CCCCO2)O[C@@]12CCCCO2.
What is the InChIKey of (6R,8S,14S)-14-(benzenesulfonyl)-5,7,9-trioxadispiro[5.1.58.36]hexadecane?
The InChIKey is GXGAVPWGUODVBU-OTWHNJEPSA-N. The full InChI is InChI=1S/C19H26O5S/c20-25(21,16-8-2-1-3-9-16)17-10-13-18(11-4-6-14-22-18)24-19(17)12-5-7-15-23-19/h1-3,8-9,17H,4-7,10-15H2/t17-,18+,19-/m0/s1.
What are the key properties of (6R,8S,14S)-14-(benzenesulfonyl)-5,7,9-trioxadispiro[5.1.58.36]hexadecane?
(6R,8S,14S)-14-(benzenesulfonyl)-5,7,9-trioxadispiro[5.1.58.36]hexadecane has a molecular weight of 366.48 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,8S,14S)-14-(benzenesulfonyl)-5,7,9-trioxadispiro[5.1.58.36]hexadecane is sourced from PubChem (CID 134937002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).