CID 59901496

C24H45O3Si — CID 59901496

IUPAC—
SMILESCCCC/C=C\C[C@@H]1[C@@H](/C=C/[C@H](O)CCCCCCC)[C@H](O[Si](C)C)C[C@@H]1O
InChIInChI=1S/C24H45O3Si/c1-5-7-9-11-13-15-20(25)17-18-22-21(16-14-12-10-8-6-2)23(26)19-24(22)27-28(3)4/h12,14,17-18,20-26H,5-11,13,15-16,19H2,1-4H3/b14-12-,18-17+/t20-,21-,22-,23+,24-/m1/s1
InChIKeyXHEAHUPTNCDPCV-HIIOMMESSA-N
MW409.71 g/mol
LogP6.03
Rot. Bonds15

About CID 59901496

CID 59901496 (PubChem CID 59901496) has the molecular formula C24H45O3Si and a molecular weight of 409.71 g/mol.

Molecular Properties

Compound NameCID 59901496
PubChem CID59901496
Molecular FormulaC24H45O3Si
Molecular Weight409.71 g/mol
Exact Mass409.31
IUPAC Name—
SMILESCCCC/C=C\C[C@@H]1[C@@H](/C=C/[C@H](O)CCCCCCC)[C@H](O[Si](C)C)C[C@@H]1O
InChIInChI=1S/C24H45O3Si/c1-5-7-9-11-13-15-20(25)17-18-22-21(16-14-12-10-8-6-2)23(26)19-24(22)27-28(3)4/h12,14,17-18,20-26H,5-11,13,15-16,19H2,1-4H3/b14-12-,18-17+/t20-,21-,22-,23+,24-/m1/s1
InChIKeyXHEAHUPTNCDPCV-HIIOMMESSA-N
XLogP6.03
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.71
LogP ≤ 56.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 59901496?
The IUPAC name of CID 59901496 (CID 59901496) is not available.
What is the SMILES notation for CID 59901496?
The canonical SMILES for CID 59901496 is CCCC/C=C\C[C@@H]1[C@@H](/C=C/[C@H](O)CCCCCCC)[C@H](O[Si](C)C)C[C@@H]1O.
What is the InChIKey of CID 59901496?
The InChIKey is XHEAHUPTNCDPCV-HIIOMMESSA-N. The full InChI is InChI=1S/C24H45O3Si/c1-5-7-9-11-13-15-20(25)17-18-22-21(16-14-12-10-8-6-2)23(26)19-24(22)27-28(3)4/h12,14,17-18,20-26H,5-11,13,15-16,19H2,1-4H3/b14-12-,18-17+/t20-,21-,22-,23+,24-/m1/s1.
What are the key properties of CID 59901496?
CID 59901496 has a molecular weight of 409.71 g/mol, XLogP of 6.03, 15 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59901496 is sourced from PubChem (CID 59901496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).