CID 174744465

C26H34Cl3Si — CID 174744465

IUPAC—
SMILESCCCCCCCC.Cl[Si](Cl)Cl.c1ccc2c(c1)ccc1c3c(ccc12)CCCC3
InChIInChI=1S/C18H16.C8H18.Cl3Si/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18;1-3-5-7-8-6-4-2;1-4(2)3/h1,3,5,7,9-12H,2,4,6,8H2;3-8H2,1-2H3;
InChIKeyZTTBDTZZIAZMSO-UHFFFAOYSA-N
MW481.00 g/mol
LogP9.93
Rot. Bonds5

About CID 174744465

CID 174744465 (PubChem CID 174744465) has the molecular formula C26H34Cl3Si and a molecular weight of 481.00 g/mol.

Molecular Properties

Compound NameCID 174744465
PubChem CID174744465
Molecular FormulaC26H34Cl3Si
Molecular Weight481.00 g/mol
Exact Mass479.15
IUPAC Name—
SMILESCCCCCCCC.Cl[Si](Cl)Cl.c1ccc2c(c1)ccc1c3c(ccc12)CCCC3
InChIInChI=1S/C18H16.C8H18.Cl3Si/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18;1-3-5-7-8-6-4-2;1-4(2)3/h1,3,5,7,9-12H,2,4,6,8H2;3-8H2,1-2H3;
InChIKeyZTTBDTZZIAZMSO-UHFFFAOYSA-N
XLogP9.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.00
LogP ≤ 59.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Related Compounds

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CID 174564853
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Frequently Asked Questions

What is the IUPAC name of CID 174744465?
The IUPAC name of CID 174744465 (CID 174744465) is not available.
What is the SMILES notation for CID 174744465?
The canonical SMILES for CID 174744465 is CCCCCCCC.Cl[Si](Cl)Cl.c1ccc2c(c1)ccc1c3c(ccc12)CCCC3.
What is the InChIKey of CID 174744465?
The InChIKey is ZTTBDTZZIAZMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16.C8H18.Cl3Si/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18;1-3-5-7-8-6-4-2;1-4(2)3/h1,3,5,7,9-12H,2,4,6,8H2;3-8H2,1-2H3;.
What are the key properties of CID 174744465?
CID 174744465 has a molecular weight of 481.00 g/mol, XLogP of 9.93, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174744465 is sourced from PubChem (CID 174744465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).