(3-ethyl-8,10-diphenyl-1,5-dioxa-9-thiaspiro[5.5]undecan-3-yl)methanol

C23H28O3S — CID 19877247

IUPAC(3-ethyl-8,10-diphenyl-1,5-dioxa-9-thiaspiro[5.5]undecan-3-yl)methanol
SMILESCCC1(CO)COC2(CC(c3ccccc3)SC(c3ccccc3)C2)OC1
InChIInChI=1S/C23H28O3S/c1-2-22(15-24)16-25-23(26-17-22)13-20(18-9-5-3-6-10-18)27-21(14-23)19-11-7-4-8-12-19/h3-12,20-21,24H,2,13-17H2,1H3
InChIKeyGCOUMBYSRDLPSS-UHFFFAOYSA-N
MW384.54 g/mol
LogP5.13
Rot. Bonds4

About (3-ethyl-8,10-diphenyl-1,5-dioxa-9-thiaspiro[5.5]undecan-3-yl)methanol

(3-ethyl-8,10-diphenyl-1,5-dioxa-9-thiaspiro[5.5]undecan-3-yl)methanol (PubChem CID 19877247) has the molecular formula C23H28O3S and a molecular weight of 384.54 g/mol. Its IUPAC name is (3-ethyl-8,10-diphenyl-1,5-dioxa-9-thiaspiro[5.5]undecan-3-yl)methanol.

Molecular Properties

Compound Name(3-ethyl-8,10-diphenyl-1,5-dioxa-9-thiaspiro[5.5]undecan-3-yl)methanol
PubChem CID19877247
Molecular FormulaC23H28O3S
Molecular Weight384.54 g/mol
Exact Mass384.18
IUPAC Name(3-ethyl-8,10-diphenyl-1,5-dioxa-9-thiaspiro[5.5]undecan-3-yl)methanol
SMILESCCC1(CO)COC2(CC(c3ccccc3)SC(c3ccccc3)C2)OC1
InChIInChI=1S/C23H28O3S/c1-2-22(15-24)16-25-23(26-17-22)13-20(18-9-5-3-6-10-18)27-21(14-23)19-11-7-4-8-12-19/h3-12,20-21,24H,2,13-17H2,1H3
InChIKeyGCOUMBYSRDLPSS-UHFFFAOYSA-N
XLogP5.13
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.54
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-ethyl-8,10-diphenyl-1,5-dioxa-9-thiaspiro[5.5]undecan-3-yl)methanol?
The IUPAC name of (3-ethyl-8,10-diphenyl-1,5-dioxa-9-thiaspiro[5.5]undecan-3-yl)methanol (CID 19877247) is (3-ethyl-8,10-diphenyl-1,5-dioxa-9-thiaspiro[5.5]undecan-3-yl)methanol.
What is the SMILES notation for (3-ethyl-8,10-diphenyl-1,5-dioxa-9-thiaspiro[5.5]undecan-3-yl)methanol?
The canonical SMILES for (3-ethyl-8,10-diphenyl-1,5-dioxa-9-thiaspiro[5.5]undecan-3-yl)methanol is CCC1(CO)COC2(CC(c3ccccc3)SC(c3ccccc3)C2)OC1.
What is the InChIKey of (3-ethyl-8,10-diphenyl-1,5-dioxa-9-thiaspiro[5.5]undecan-3-yl)methanol?
The InChIKey is GCOUMBYSRDLPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28O3S/c1-2-22(15-24)16-25-23(26-17-22)13-20(18-9-5-3-6-10-18)27-21(14-23)19-11-7-4-8-12-19/h3-12,20-21,24H,2,13-17H2,1H3.
What are the key properties of (3-ethyl-8,10-diphenyl-1,5-dioxa-9-thiaspiro[5.5]undecan-3-yl)methanol?
(3-ethyl-8,10-diphenyl-1,5-dioxa-9-thiaspiro[5.5]undecan-3-yl)methanol has a molecular weight of 384.54 g/mol, XLogP of 5.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-8,10-diphenyl-1,5-dioxa-9-thiaspiro[5.5]undecan-3-yl)methanol is sourced from PubChem (CID 19877247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).