(9S)-11-ethenyl-1,5-dithiaspiro[5.5]undec-10-en-9-ol

C11H16OS2 — CID 10537345

IUPAC(9S)-11-ethenyl-1,5-dithiaspiro[5.5]undec-10-en-9-ol
SMILESC=CC1=C[C@@H](O)CCC12SCCCS2
InChIInChI=1S/C11H16OS2/c1-2-9-8-10(12)4-5-11(9)13-6-3-7-14-11/h2,8,10,12H,1,3-7H2/t10-/m0/s1
InChIKeyMJDKTASXQKABRR-JTQLQIEISA-N
MW228.38 g/mol
LogP2.82
Rot. Bonds1

About (9S)-11-ethenyl-1,5-dithiaspiro[5.5]undec-10-en-9-ol

(9S)-11-ethenyl-1,5-dithiaspiro[5.5]undec-10-en-9-ol (PubChem CID 10537345) has the molecular formula C11H16OS2 and a molecular weight of 228.38 g/mol. Its IUPAC name is (9S)-11-ethenyl-1,5-dithiaspiro[5.5]undec-10-en-9-ol.

Molecular Properties

Compound Name(9S)-11-ethenyl-1,5-dithiaspiro[5.5]undec-10-en-9-ol
PubChem CID10537345
Molecular FormulaC11H16OS2
Molecular Weight228.38 g/mol
Exact Mass228.06
IUPAC Name(9S)-11-ethenyl-1,5-dithiaspiro[5.5]undec-10-en-9-ol
SMILESC=CC1=C[C@@H](O)CCC12SCCCS2
InChIInChI=1S/C11H16OS2/c1-2-9-8-10(12)4-5-11(9)13-6-3-7-14-11/h2,8,10,12H,1,3-7H2/t10-/m0/s1
InChIKeyMJDKTASXQKABRR-JTQLQIEISA-N
XLogP2.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

11-Ethenyl-1,5-dithiaspiro[5.5]undec-10-en-9-ol
CID 10398906
(1R)-1-[2-[(E)-5-hydroxypent-3-enyl]-1,3-dithian-2-yl]hexan-1-ol
CID 135030457
2-Cyclohexen-1-ol, 3-(2-methyl-m-dithian-2-yl)-
CID 615410
6-Ethenyl-1,4-dithiaspiro[4.5]dec-6-en-8-ol
CID 10465846
3-(1,3-Dithian-2-yl)-2-methylcyclohex-2-en-1-ol
CID 10775839
1,6,7,11-Tetrahydrobenzo[d][1]benzothiepin-11-ol
CID 20232264
4a,6,10,11-Tetrahydrobenzo[d][1]benzothiepin-11-ol
CID 54471420
1-Cyclohexa-1,3-dien-1-yl-2-(trimethyl-lambda4-sulfanyl)ethanol
CID 123682573
3,4,5,6-tetrahydro-1H-isothiochromen-4-ol
CID 140994155
(8E)-8-prop-2-enylidene-3,4,5,7,9,10-hexahydro-2H-1,6-benzodithiocin-7-ol
CID 174278039
(9R)-11-ethenyl-1,5-dithiaspiro[5.5]undec-10-en-9-ol
CID 10846985
(1S,2R)-3-(1,3-dithian-2-yl)cyclohexa-3,5-diene-1,2-diol
CID 15544201

Frequently Asked Questions

What is the IUPAC name of (9S)-11-ethenyl-1,5-dithiaspiro[5.5]undec-10-en-9-ol?
The IUPAC name of (9S)-11-ethenyl-1,5-dithiaspiro[5.5]undec-10-en-9-ol (CID 10537345) is (9S)-11-ethenyl-1,5-dithiaspiro[5.5]undec-10-en-9-ol.
What is the SMILES notation for (9S)-11-ethenyl-1,5-dithiaspiro[5.5]undec-10-en-9-ol?
The canonical SMILES for (9S)-11-ethenyl-1,5-dithiaspiro[5.5]undec-10-en-9-ol is C=CC1=C[C@@H](O)CCC12SCCCS2.
What is the InChIKey of (9S)-11-ethenyl-1,5-dithiaspiro[5.5]undec-10-en-9-ol?
The InChIKey is MJDKTASXQKABRR-JTQLQIEISA-N. The full InChI is InChI=1S/C11H16OS2/c1-2-9-8-10(12)4-5-11(9)13-6-3-7-14-11/h2,8,10,12H,1,3-7H2/t10-/m0/s1.
What are the key properties of (9S)-11-ethenyl-1,5-dithiaspiro[5.5]undec-10-en-9-ol?
(9S)-11-ethenyl-1,5-dithiaspiro[5.5]undec-10-en-9-ol has a molecular weight of 228.38 g/mol, XLogP of 2.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9S)-11-ethenyl-1,5-dithiaspiro[5.5]undec-10-en-9-ol is sourced from PubChem (CID 10537345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).