CID 101066234

C14H26ClNSSi2Zn- — CID 101066234

IUPAC—
SMILESC[Si]1(C)CCC[Si](C)(C)N1CCCc1cc[c]s1.[Cl-].[Zn]
InChIInChI=1S/C14H26NSSi2.ClH.Zn/c1-17(2)12-7-13-18(3,4)15(17)10-5-8-14-9-6-11-16-14;;/h6,9H,5,7-8,10,12-13H2,1-4H3;1H;/p-1
InChIKeyULJMLQOHVSVQOE-UHFFFAOYSA-M
MW397.45 g/mol
LogP1.60
Rot. Bonds4

About CID 101066234

CID 101066234 (PubChem CID 101066234) has the molecular formula C14H26ClNSSi2Zn- and a molecular weight of 397.45 g/mol.

Molecular Properties

Compound NameCID 101066234
PubChem CID101066234
Molecular FormulaC14H26ClNSSi2Zn-
Molecular Weight397.45 g/mol
Exact Mass395.03
IUPAC Name—
SMILESC[Si]1(C)CCC[Si](C)(C)N1CCCc1cc[c]s1.[Cl-].[Zn]
InChIInChI=1S/C14H26NSSi2.ClH.Zn/c1-17(2)12-7-13-18(3,4)15(17)10-5-8-14-9-6-11-16-14;;/h6,9H,5,7-8,10,12-13H2,1-4H3;1H;/p-1
InChIKeyULJMLQOHVSVQOE-UHFFFAOYSA-M
XLogP1.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 101066234?
The IUPAC name of CID 101066234 (CID 101066234) is not available.
What is the SMILES notation for CID 101066234?
The canonical SMILES for CID 101066234 is C[Si]1(C)CCC[Si](C)(C)N1CCCc1cc[c]s1.[Cl-].[Zn].
What is the InChIKey of CID 101066234?
The InChIKey is ULJMLQOHVSVQOE-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H26NSSi2.ClH.Zn/c1-17(2)12-7-13-18(3,4)15(17)10-5-8-14-9-6-11-16-14;;/h6,9H,5,7-8,10,12-13H2,1-4H3;1H;/p-1.
What are the key properties of CID 101066234?
CID 101066234 has a molecular weight of 397.45 g/mol, XLogP of 1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101066234 is sourced from PubChem (CID 101066234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).