bis(4-chloro-2,3,5-trimethylcyclopenta-1,4-dien-1-yl)silane

C16H22Cl2Si — CID 173048016

IUPACbis(4-chloro-2,3,5-trimethylcyclopenta-1,4-dien-1-yl)silane
SMILESCC1=C(Cl)C(C)C(C)=C1[SiH2]C1=C(C)C(C)C(Cl)=C1C
InChIInChI=1S/C16H22Cl2Si/c1-7-9(3)15(11(5)13(7)17)19-16-10(4)8(2)14(18)12(16)6/h7-8H,19H2,1-6H3
InChIKeyQAUUJXQFUCCKAB-UHFFFAOYSA-N
MW313.34 g/mol
LogP5.03
Rot. Bonds2

About bis(4-chloro-2,3,5-trimethylcyclopenta-1,4-dien-1-yl)silane

bis(4-chloro-2,3,5-trimethylcyclopenta-1,4-dien-1-yl)silane (PubChem CID 173048016) has the molecular formula C16H22Cl2Si and a molecular weight of 313.34 g/mol. Its IUPAC name is bis(4-chloro-2,3,5-trimethylcyclopenta-1,4-dien-1-yl)silane.

Molecular Properties

Compound Namebis(4-chloro-2,3,5-trimethylcyclopenta-1,4-dien-1-yl)silane
PubChem CID173048016
Molecular FormulaC16H22Cl2Si
Molecular Weight313.34 g/mol
Exact Mass312.09
IUPAC Namebis(4-chloro-2,3,5-trimethylcyclopenta-1,4-dien-1-yl)silane
SMILESCC1=C(Cl)C(C)C(C)=C1[SiH2]C1=C(C)C(C)C(Cl)=C1C
InChIInChI=1S/C16H22Cl2Si/c1-7-9(3)15(11(5)13(7)17)19-16-10(4)8(2)14(18)12(16)6/h7-8H,19H2,1-6H3
InChIKeyQAUUJXQFUCCKAB-UHFFFAOYSA-N
XLogP5.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.34
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 bis(4-chloro-2,3,5-trimethylcyclopenta-1,4-dien-1-yl)silane?
The IUPAC name of bis(4-chloro-2,3,5-trimethylcyclopenta-1,4-dien-1-yl)silane (CID 173048016) is bis(4-chloro-2,3,5-trimethylcyclopenta-1,4-dien-1-yl)silane.
What is the SMILES notation for bis(4-chloro-2,3,5-trimethylcyclopenta-1,4-dien-1-yl)silane?
The canonical SMILES for bis(4-chloro-2,3,5-trimethylcyclopenta-1,4-dien-1-yl)silane is CC1=C(Cl)C(C)C(C)=C1[SiH2]C1=C(C)C(C)C(Cl)=C1C.
What is the InChIKey of bis(4-chloro-2,3,5-trimethylcyclopenta-1,4-dien-1-yl)silane?
The InChIKey is QAUUJXQFUCCKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2Si/c1-7-9(3)15(11(5)13(7)17)19-16-10(4)8(2)14(18)12(16)6/h7-8H,19H2,1-6H3.
What are the key properties of bis(4-chloro-2,3,5-trimethylcyclopenta-1,4-dien-1-yl)silane?
bis(4-chloro-2,3,5-trimethylcyclopenta-1,4-dien-1-yl)silane has a molecular weight of 313.34 g/mol, XLogP of 5.03, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-chloro-2,3,5-trimethylcyclopenta-1,4-dien-1-yl)silane is sourced from PubChem (CID 173048016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).