(7R,11S)-1,4,8-trioxa-13-thiadispiro[4.1.57.35]pentadecan-11-ol

C11H18O4S — CID 10263959

IUPAC(7R,11S)-1,4,8-trioxa-13-thiadispiro[4.1.57.35]pentadecan-11-ol
SMILESO[C@H]1CCO[C@@]2(C1)CC1(CCS2)OCCO1
InChIInChI=1S/C11H18O4S/c12-9-1-3-15-11(7-9)8-10(2-6-16-11)13-4-5-14-10/h9,12H,1-8H2/t9-,11+/m0/s1
InChIKeySLINHRZOIIDOQW-GXSJLCMTSA-N
MW246.33 g/mol
LogP1.12
Rot. Bonds

About (7R,11S)-1,4,8-trioxa-13-thiadispiro[4.1.57.35]pentadecan-11-ol

(7R,11S)-1,4,8-trioxa-13-thiadispiro[4.1.57.35]pentadecan-11-ol (PubChem CID 10263959) has the molecular formula C11H18O4S and a molecular weight of 246.33 g/mol. Its IUPAC name is (7R,11S)-1,4,8-trioxa-13-thiadispiro[4.1.57.35]pentadecan-11-ol.

Molecular Properties

Compound Name(7R,11S)-1,4,8-trioxa-13-thiadispiro[4.1.57.35]pentadecan-11-ol
PubChem CID10263959
Molecular FormulaC11H18O4S
Molecular Weight246.33 g/mol
Exact Mass246.09
IUPAC Name(7R,11S)-1,4,8-trioxa-13-thiadispiro[4.1.57.35]pentadecan-11-ol
SMILESO[C@H]1CCO[C@@]2(C1)CC1(CCS2)OCCO1
InChIInChI=1S/C11H18O4S/c12-9-1-3-15-11(7-9)8-10(2-6-16-11)13-4-5-14-10/h9,12H,1-8H2/t9-,11+/m0/s1
InChIKeySLINHRZOIIDOQW-GXSJLCMTSA-N
XLogP1.12
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (7R,11S)-1,4,8-trioxa-13-thiadispiro[4.1.57.35]pentadecan-11-ol?
The IUPAC name of (7R,11S)-1,4,8-trioxa-13-thiadispiro[4.1.57.35]pentadecan-11-ol (CID 10263959) is (7R,11S)-1,4,8-trioxa-13-thiadispiro[4.1.57.35]pentadecan-11-ol.
What is the SMILES notation for (7R,11S)-1,4,8-trioxa-13-thiadispiro[4.1.57.35]pentadecan-11-ol?
The canonical SMILES for (7R,11S)-1,4,8-trioxa-13-thiadispiro[4.1.57.35]pentadecan-11-ol is O[C@H]1CCO[C@@]2(C1)CC1(CCS2)OCCO1.
What is the InChIKey of (7R,11S)-1,4,8-trioxa-13-thiadispiro[4.1.57.35]pentadecan-11-ol?
The InChIKey is SLINHRZOIIDOQW-GXSJLCMTSA-N. The full InChI is InChI=1S/C11H18O4S/c12-9-1-3-15-11(7-9)8-10(2-6-16-11)13-4-5-14-10/h9,12H,1-8H2/t9-,11+/m0/s1.
What are the key properties of (7R,11S)-1,4,8-trioxa-13-thiadispiro[4.1.57.35]pentadecan-11-ol?
(7R,11S)-1,4,8-trioxa-13-thiadispiro[4.1.57.35]pentadecan-11-ol has a molecular weight of 246.33 g/mol, XLogP of 1.12, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,11S)-1,4,8-trioxa-13-thiadispiro[4.1.57.35]pentadecan-11-ol is sourced from PubChem (CID 10263959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).