CID 59901513

C26H46O6Si+ — CID 59901513

IUPAC—
SMILESCCCCCCCC1(CC[C@H]2[C@H](O[Si](C)C)CC(=O)[C@@H]2C/C=C\CCCC(=O)[OH2+])OCCO1
InChIInChI=1S/C26H45O6Si/c1-4-5-6-9-12-16-26(30-18-19-31-26)17-15-22-21(13-10-7-8-11-14-25(28)29)23(27)20-24(22)32-33(2)3/h7,10,21-22,24H,4-6,8-9,11-20H2,1-3H3,(H,28,29)/p+1/b10-7-/t21-,22-,24-/m1/s1
InChIKeyOLQQGRQMJZMANG-QRBKYILWSA-O
MW482.73 g/mol
LogP5.08
Rot. Bonds17

About CID 59901513

CID 59901513 (PubChem CID 59901513) has the molecular formula C26H46O6Si+ and a molecular weight of 482.73 g/mol.

Molecular Properties

Compound NameCID 59901513
PubChem CID59901513
Molecular FormulaC26H46O6Si+
Molecular Weight482.73 g/mol
Exact Mass482.31
IUPAC Name—
SMILESCCCCCCCC1(CC[C@H]2[C@H](O[Si](C)C)CC(=O)[C@@H]2C/C=C\CCCC(=O)[OH2+])OCCO1
InChIInChI=1S/C26H45O6Si/c1-4-5-6-9-12-16-26(30-18-19-31-26)17-15-22-21(13-10-7-8-11-14-25(28)29)23(27)20-24(22)32-33(2)3/h7,10,21-22,24H,4-6,8-9,11-20H2,1-3H3,(H,28,29)/p+1/b10-7-/t21-,22-,24-/m1/s1
InChIKeyOLQQGRQMJZMANG-QRBKYILWSA-O
XLogP5.08
TPSA84.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.73
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 59901513?
The IUPAC name of CID 59901513 (CID 59901513) is not available.
What is the SMILES notation for CID 59901513?
The canonical SMILES for CID 59901513 is CCCCCCCC1(CC[C@H]2[C@H](O[Si](C)C)CC(=O)[C@@H]2C/C=C\CCCC(=O)[OH2+])OCCO1.
What is the InChIKey of CID 59901513?
The InChIKey is OLQQGRQMJZMANG-QRBKYILWSA-O. The full InChI is InChI=1S/C26H45O6Si/c1-4-5-6-9-12-16-26(30-18-19-31-26)17-15-22-21(13-10-7-8-11-14-25(28)29)23(27)20-24(22)32-33(2)3/h7,10,21-22,24H,4-6,8-9,11-20H2,1-3H3,(H,28,29)/p+1/b10-7-/t21-,22-,24-/m1/s1.
What are the key properties of CID 59901513?
CID 59901513 has a molecular weight of 482.73 g/mol, XLogP of 5.08, 17 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59901513 is sourced from PubChem (CID 59901513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).