CID 86759337

C38H60O3Si2 — CID 86759337

IUPAC—
SMILESCCC(O)(/C=C/C=C(\C)c1cccc(CCc2ccc(C(O[Si](C)C)C(C)(C)C)c(C(O[Si](C)C)C(C)(C)C)c2)c1)CC
InChIInChI=1S/C38H60O3Si2/c1-14-38(39,15-2)25-17-18-28(3)31-20-16-19-29(26-31)21-22-30-23-24-32(34(36(4,5)6)40-42(10)11)33(27-30)35(37(7,8)9)41-43(12)13/h16-20,23-27,34-35,39H,14-15,21-22H2,1-13H3/b25-17+,28-18+
InChIKeyCJFPUORBQPGQOS-KWCUBGNDSA-N
MW621.07 g/mol
LogP10.69
Rot. Bonds14

About CID 86759337

CID 86759337 (PubChem CID 86759337) has the molecular formula C38H60O3Si2 and a molecular weight of 621.07 g/mol.

Molecular Properties

Compound NameCID 86759337
PubChem CID86759337
Molecular FormulaC38H60O3Si2
Molecular Weight621.07 g/mol
Exact Mass620.41
IUPAC Name—
SMILESCCC(O)(/C=C/C=C(\C)c1cccc(CCc2ccc(C(O[Si](C)C)C(C)(C)C)c(C(O[Si](C)C)C(C)(C)C)c2)c1)CC
InChIInChI=1S/C38H60O3Si2/c1-14-38(39,15-2)25-17-18-28(3)31-20-16-19-29(26-31)21-22-30-23-24-32(34(36(4,5)6)40-42(10)11)33(27-30)35(37(7,8)9)41-43(12)13/h16-20,23-27,34-35,39H,14-15,21-22H2,1-13H3/b25-17+,28-18+
InChIKeyCJFPUORBQPGQOS-KWCUBGNDSA-N
XLogP10.69
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.07
LogP ≤ 510.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 86759337?
The IUPAC name of CID 86759337 (CID 86759337) is not available.
What is the SMILES notation for CID 86759337?
The canonical SMILES for CID 86759337 is CCC(O)(/C=C/C=C(\C)c1cccc(CCc2ccc(C(O[Si](C)C)C(C)(C)C)c(C(O[Si](C)C)C(C)(C)C)c2)c1)CC.
What is the InChIKey of CID 86759337?
The InChIKey is CJFPUORBQPGQOS-KWCUBGNDSA-N. The full InChI is InChI=1S/C38H60O3Si2/c1-14-38(39,15-2)25-17-18-28(3)31-20-16-19-29(26-31)21-22-30-23-24-32(34(36(4,5)6)40-42(10)11)33(27-30)35(37(7,8)9)41-43(12)13/h16-20,23-27,34-35,39H,14-15,21-22H2,1-13H3/b25-17+,28-18+.
What are the key properties of CID 86759337?
CID 86759337 has a molecular weight of 621.07 g/mol, XLogP of 10.69, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 86759337 is sourced from PubChem (CID 86759337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).