CID 58807555

C24H48O12 — CID 58807555

IUPAC—
SMILES[CH]COCC(COCCO)(COCCO)COCC(COCCO)(COCCO)COCCCCO
InChIInChI=1S/C24H48O12/c1-2-30-15-23(17-32-11-6-26,18-33-12-7-27)21-36-22-24(19-34-13-8-28,20-35-14-9-29)16-31-10-4-3-5-25/h1,25-29H,2-22H2
InChIKeyZPRDGOBNBOBTAK-UHFFFAOYSA-N
MW528.64 g/mol
LogP-1.47
Rot. Bonds29

About CID 58807555

CID 58807555 (PubChem CID 58807555) has the molecular formula C24H48O12 and a molecular weight of 528.64 g/mol.

Molecular Properties

Compound NameCID 58807555
PubChem CID58807555
Molecular FormulaC24H48O12
Molecular Weight528.64 g/mol
Exact Mass528.31
IUPAC Name—
SMILES[CH]COCC(COCCO)(COCCO)COCC(COCCO)(COCCO)COCCCCO
InChIInChI=1S/C24H48O12/c1-2-30-15-23(17-32-11-6-26,18-33-12-7-27)21-36-22-24(19-34-13-8-28,20-35-14-9-29)16-31-10-4-3-5-25/h1,25-29H,2-22H2
InChIKeyZPRDGOBNBOBTAK-UHFFFAOYSA-N
XLogP-1.47
TPSA165.76 Ų
H-Bond Donors5
H-Bond Acceptors12
Rotatable Bonds29
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.64
LogP ≤ 5-1.47
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[3-(3-hydroxypropoxy)-2,2-bis(3-hydroxypropoxymethyl)propoxy]hexan-1-ol
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2-[2,2-bis(dodecoxymethyl)-3-(2-hydroxyethoxy)propoxy]ethanol
CID 131740227
8-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]octan-1-ol
CID 134883516
12-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]dodecan-1-ol
CID 134883585
5-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]pentan-1-ol
CID 87403032
6-(2-hydroxyethoxy)-5,5-bis(2-hydroxyethoxymethyl)hexan-1-ol;tetrakis(yttrium)
CID 155647288
2-[8-(2-hydroxyethoxy)octoxy]ethanol
CID 174919525
ethane-1,2-diol;4-[4-(4-hydroxybutoxy)butoxy]butan-1-ol
CID 87472116
3-[3-decoxy-2,2-bis(decoxymethyl)propoxy]propan-1-ol
CID 142743710
2-[2-[2-[12-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]dodecoxy]ethoxy]ethoxy]ethanol
CID 71344110
4-[6-(3-hydroxypropoxy)hexoxy]butan-1-ol
CID 90752305
hexane-1,6-diol;2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol
CID 87123368

Frequently Asked Questions

What is the IUPAC name of CID 58807555?
The IUPAC name of CID 58807555 (CID 58807555) is not available.
What is the SMILES notation for CID 58807555?
The canonical SMILES for CID 58807555 is [CH]COCC(COCCO)(COCCO)COCC(COCCO)(COCCO)COCCCCO.
What is the InChIKey of CID 58807555?
The InChIKey is ZPRDGOBNBOBTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48O12/c1-2-30-15-23(17-32-11-6-26,18-33-12-7-27)21-36-22-24(19-34-13-8-28,20-35-14-9-29)16-31-10-4-3-5-25/h1,25-29H,2-22H2.
What are the key properties of CID 58807555?
CID 58807555 has a molecular weight of 528.64 g/mol, XLogP of -1.47, 29 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58807555 is sourced from PubChem (CID 58807555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).