CID 59990220

C24H45O4S — CID 59990220

IUPAC—
SMILESC[CH]CSC(CC(=O)OCC(CC)CCCC)CC(=O)OCC(CC)CCCC
InChIInChI=1S/C24H45O4S/c1-6-11-13-20(9-4)18-27-23(25)16-22(29-15-8-3)17-24(26)28-19-21(10-5)14-12-7-2/h8,20-22H,6-7,9-19H2,1-5H3
InChIKeySXGDDSYSGQQXHS-UHFFFAOYSA-N
MW429.69 g/mol
LogP6.61
Rot. Bonds19

About CID 59990220

CID 59990220 (PubChem CID 59990220) has the molecular formula C24H45O4S and a molecular weight of 429.69 g/mol.

Molecular Properties

Compound NameCID 59990220
PubChem CID59990220
Molecular FormulaC24H45O4S
Molecular Weight429.69 g/mol
Exact Mass429.30
IUPAC Name—
SMILESC[CH]CSC(CC(=O)OCC(CC)CCCC)CC(=O)OCC(CC)CCCC
InChIInChI=1S/C24H45O4S/c1-6-11-13-20(9-4)18-27-23(25)16-22(29-15-8-3)17-24(26)28-19-21(10-5)14-12-7-2/h8,20-22H,6-7,9-19H2,1-5H3
InChIKeySXGDDSYSGQQXHS-UHFFFAOYSA-N
XLogP6.61
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds19
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.69
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of CID 59990220?
The IUPAC name of CID 59990220 (CID 59990220) is not available.
What is the SMILES notation for CID 59990220?
The canonical SMILES for CID 59990220 is C[CH]CSC(CC(=O)OCC(CC)CCCC)CC(=O)OCC(CC)CCCC.
What is the InChIKey of CID 59990220?
The InChIKey is SXGDDSYSGQQXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H45O4S/c1-6-11-13-20(9-4)18-27-23(25)16-22(29-15-8-3)17-24(26)28-19-21(10-5)14-12-7-2/h8,20-22H,6-7,9-19H2,1-5H3.
What are the key properties of CID 59990220?
CID 59990220 has a molecular weight of 429.69 g/mol, XLogP of 6.61, 19 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59990220 is sourced from PubChem (CID 59990220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).