CID 161018113

C18H29Cl2CrSi — CID 161018113

IUPAC—
SMILESC[SiH]C.Cc1cc(C)c(C)[cH-]1.Cc1cc(C)c(C)[cH-]1.[Cl-].[Cl-].[Cr+4]
InChIInChI=1S/2C8H11.C2H7Si.2ClH.Cr/c2*1-6-4-7(2)8(3)5-6;1-3-2;;;/h2*4-5H,1-3H3;3H,1-2H3;2*1H;/q2*-1;;;;+4/p-2
InChIKeyIEPIDKPYSXXJPN-UHFFFAOYSA-L
MW396.42 g/mol
LogP-0.81
Rot. Bonds

About CID 161018113

CID 161018113 (PubChem CID 161018113) has the molecular formula C18H29Cl2CrSi and a molecular weight of 396.42 g/mol.

Molecular Properties

Compound NameCID 161018113
PubChem CID161018113
Molecular FormulaC18H29Cl2CrSi
Molecular Weight396.42 g/mol
Exact Mass395.08
IUPAC Name—
SMILESC[SiH]C.Cc1cc(C)c(C)[cH-]1.Cc1cc(C)c(C)[cH-]1.[Cl-].[Cl-].[Cr+4]
InChIInChI=1S/2C8H11.C2H7Si.2ClH.Cr/c2*1-6-4-7(2)8(3)5-6;1-3-2;;;/h2*4-5H,1-3H3;3H,1-2H3;2*1H;/q2*-1;;;;+4/p-2
InChIKeyIEPIDKPYSXXJPN-UHFFFAOYSA-L
XLogP-0.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.42
LogP ≤ 5-0.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 161018113?
The IUPAC name of CID 161018113 (CID 161018113) is not available.
What is the SMILES notation for CID 161018113?
The canonical SMILES for CID 161018113 is C[SiH]C.Cc1cc(C)c(C)[cH-]1.Cc1cc(C)c(C)[cH-]1.[Cl-].[Cl-].[Cr+4].
What is the InChIKey of CID 161018113?
The InChIKey is IEPIDKPYSXXJPN-UHFFFAOYSA-L. The full InChI is InChI=1S/2C8H11.C2H7Si.2ClH.Cr/c2*1-6-4-7(2)8(3)5-6;1-3-2;;;/h2*4-5H,1-3H3;3H,1-2H3;2*1H;/q2*-1;;;;+4/p-2.
What are the key properties of CID 161018113?
CID 161018113 has a molecular weight of 396.42 g/mol, XLogP of -0.81, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 161018113 is sourced from PubChem (CID 161018113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).