CID 11037993

C28H36O4S — CID 11037993

IUPAC—
SMILESC[C@]12CC3=C(Sc4ccccc4)CC[C@]4(C)[C@H]3[C@@H](CCC43OCCO3)[C@@H]1CCC21OCCO1
InChIInChI=1S/C28H36O4S/c1-25-11-10-23(33-19-6-4-3-5-7-19)21-18-26(2)22(9-13-28(26)31-16-17-32-28)20(24(21)25)8-12-27(25)29-14-15-30-27/h3-7,20,22,24H,8-18H2,1-2H3/t20-,22-,24-,25+,26-/m0/s1
InChIKeyLRHLIQPVQBODII-WYZVNPPJSA-N
MW468.66 g/mol
LogP6.17
Rot. Bonds2

About CID 11037993

CID 11037993 (PubChem CID 11037993) has the molecular formula C28H36O4S and a molecular weight of 468.66 g/mol.

Molecular Properties

Compound NameCID 11037993
PubChem CID11037993
Molecular FormulaC28H36O4S
Molecular Weight468.66 g/mol
Exact Mass468.23
IUPAC Name—
SMILESC[C@]12CC3=C(Sc4ccccc4)CC[C@]4(C)[C@H]3[C@@H](CCC43OCCO3)[C@@H]1CCC21OCCO1
InChIInChI=1S/C28H36O4S/c1-25-11-10-23(33-19-6-4-3-5-7-19)21-18-26(2)22(9-13-28(26)31-16-17-32-28)20(24(21)25)8-12-27(25)29-14-15-30-27/h3-7,20,22,24H,8-18H2,1-2H3/t20-,22-,24-,25+,26-/m0/s1
InChIKeyLRHLIQPVQBODII-WYZVNPPJSA-N
XLogP6.17
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.66
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of CID 11037993?
The IUPAC name of CID 11037993 (CID 11037993) is not available.
What is the SMILES notation for CID 11037993?
The canonical SMILES for CID 11037993 is C[C@]12CC3=C(Sc4ccccc4)CC[C@]4(C)[C@H]3[C@@H](CCC43OCCO3)[C@@H]1CCC21OCCO1.
What is the InChIKey of CID 11037993?
The InChIKey is LRHLIQPVQBODII-WYZVNPPJSA-N. The full InChI is InChI=1S/C28H36O4S/c1-25-11-10-23(33-19-6-4-3-5-7-19)21-18-26(2)22(9-13-28(26)31-16-17-32-28)20(24(21)25)8-12-27(25)29-14-15-30-27/h3-7,20,22,24H,8-18H2,1-2H3/t20-,22-,24-,25+,26-/m0/s1.
What are the key properties of CID 11037993?
CID 11037993 has a molecular weight of 468.66 g/mol, XLogP of 6.17, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11037993 is sourced from PubChem (CID 11037993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).