CID 123213409

C18H41Si2 — CID 123213409

IUPAC—
SMILESCCCCCC[Si](CCCCCC)[SiH](C(C)C)C(C)C
InChIInChI=1S/C18H41Si2/c1-7-9-11-13-15-19(16-14-12-10-8-2)20(17(3)4)18(5)6/h17-18,20H,7-16H2,1-6H3
InChIKeyCVKYCPMLSFZIHY-UHFFFAOYSA-N
MW313.70 g/mol
LogP6.77
Rot. Bonds13

About CID 123213409

CID 123213409 (PubChem CID 123213409) has the molecular formula C18H41Si2 and a molecular weight of 313.70 g/mol.

Molecular Properties

Compound NameCID 123213409
PubChem CID123213409
Molecular FormulaC18H41Si2
Molecular Weight313.70 g/mol
Exact Mass313.27
IUPAC Name—
SMILESCCCCCC[Si](CCCCCC)[SiH](C(C)C)C(C)C
InChIInChI=1S/C18H41Si2/c1-7-9-11-13-15-19(16-14-12-10-8-2)20(17(3)4)18(5)6/h17-18,20H,7-16H2,1-6H3
InChIKeyCVKYCPMLSFZIHY-UHFFFAOYSA-N
XLogP6.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.70
LogP ≤ 56.77
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'}

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Related Compounds

CID 137150635
CID 137150635
ethane;heptane;2-methylpropane
CID 167499531
CID 21462171
CID 21462171
2,4-dimethylpentane;ethane;heptane
CID 153392396
CID 176657904
CID 176657904
CID 161246447
CID 161246447
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
decane;heptane
CID 159049036
henoctacontane
CID 22086342

Frequently Asked Questions

What is the IUPAC name of CID 123213409?
The IUPAC name of CID 123213409 (CID 123213409) is not available.
What is the SMILES notation for CID 123213409?
The canonical SMILES for CID 123213409 is CCCCCC[Si](CCCCCC)[SiH](C(C)C)C(C)C.
What is the InChIKey of CID 123213409?
The InChIKey is CVKYCPMLSFZIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H41Si2/c1-7-9-11-13-15-19(16-14-12-10-8-2)20(17(3)4)18(5)6/h17-18,20H,7-16H2,1-6H3.
What are the key properties of CID 123213409?
CID 123213409 has a molecular weight of 313.70 g/mol, XLogP of 6.77, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 123213409 is sourced from PubChem (CID 123213409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).