CID 21159496

C25H32OSi — CID 21159496

IUPAC—
SMILESCCCCCCCC/C=C/CO[Si]/C(=C\c1ccccc1)c1ccccc1
InChIInChI=1S/C25H32OSi/c1-2-3-4-5-6-7-8-9-16-21-26-27-25(24-19-14-11-15-20-24)22-23-17-12-10-13-18-23/h9-20,22H,2-8,21H2,1H3/b16-9+,25-22-
InChIKeyVOVCKQDBUXHSTA-MECZOEAZSA-N
MW376.62 g/mol
LogP7.13
Rot. Bonds13

About CID 21159496

CID 21159496 (PubChem CID 21159496) has the molecular formula C25H32OSi and a molecular weight of 376.62 g/mol.

Molecular Properties

Compound NameCID 21159496
PubChem CID21159496
Molecular FormulaC25H32OSi
Molecular Weight376.62 g/mol
Exact Mass376.22
IUPAC Name—
SMILESCCCCCCCC/C=C/CO[Si]/C(=C\c1ccccc1)c1ccccc1
InChIInChI=1S/C25H32OSi/c1-2-3-4-5-6-7-8-9-16-21-26-27-25(24-19-14-11-15-20-24)22-23-17-12-10-13-18-23/h9-20,22H,2-8,21H2,1H3/b16-9+,25-22-
InChIKeyVOVCKQDBUXHSTA-MECZOEAZSA-N
XLogP7.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.62
LogP ≤ 57.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

CID 177441824
CID 177441824
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heptadec-4-enylbenzene
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[(Z)-heptadec-10-enyl]benzene
CID 175397737
benzoic acid;tris(octadec-9-enoic acid)
CID 161443012
[(1E,3E)-2-methylocta-1,3-dienyl]benzene
CID 15953217
octadeca-1,3-dienylbenzene
CID 54155436
[(1E,3E)-undeca-1,3-dienyl]benzene
CID 10633133
oct-1-enylbenzene;phosphoric acid
CID 159316508
1,2-diphenylethenyl(hexyl)phosphane
CID 70146049

Frequently Asked Questions

What is the IUPAC name of CID 21159496?
The IUPAC name of CID 21159496 (CID 21159496) is not available.
What is the SMILES notation for CID 21159496?
The canonical SMILES for CID 21159496 is CCCCCCCC/C=C/CO[Si]/C(=C\c1ccccc1)c1ccccc1.
What is the InChIKey of CID 21159496?
The InChIKey is VOVCKQDBUXHSTA-MECZOEAZSA-N. The full InChI is InChI=1S/C25H32OSi/c1-2-3-4-5-6-7-8-9-16-21-26-27-25(24-19-14-11-15-20-24)22-23-17-12-10-13-18-23/h9-20,22H,2-8,21H2,1H3/b16-9+,25-22-.
What are the key properties of CID 21159496?
CID 21159496 has a molecular weight of 376.62 g/mol, XLogP of 7.13, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 21159496 is sourced from PubChem (CID 21159496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).