[4-chloro-5-[(2-chloro-5-trimethylsilylcyclopenta-1,4-dien-1-yl)methyl]cyclopenta-1,4-dien-1-yl]-trimethylsilane;hafnium

C17H26Cl2HfSi2 — CID 87079824

IUPAC[4-chloro-5-[(2-chloro-5-trimethylsilylcyclopenta-1,4-dien-1-yl)methyl]cyclopenta-1,4-dien-1-yl]-trimethylsilane;hafnium
SMILESC[Si](C)(C)C1=CCC(Cl)=C1CC1=C(Cl)CC=C1[Si](C)(C)C.[Hf]
InChIInChI=1S/C17H26Cl2Si2.Hf/c1-20(2,3)16-9-7-14(18)12(16)11-13-15(19)8-10-17(13)21(4,5)6;/h9-10H,7-8,11H2,1-6H3;
InChIKeyIKMQGJTURGUCTF-UHFFFAOYSA-N
MW535.96 g/mol
LogP6.77
Rot. Bonds4

About [4-chloro-5-[(2-chloro-5-trimethylsilylcyclopenta-1,4-dien-1-yl)methyl]cyclopenta-1,4-dien-1-yl]-trimethylsilane;hafnium

[4-chloro-5-[(2-chloro-5-trimethylsilylcyclopenta-1,4-dien-1-yl)methyl]cyclopenta-1,4-dien-1-yl]-trimethylsilane;hafnium (PubChem CID 87079824) has the molecular formula C17H26Cl2HfSi2 and a molecular weight of 535.96 g/mol. Its IUPAC name is [4-chloro-5-[(2-chloro-5-trimethylsilylcyclopenta-1,4-dien-1-yl)methyl]cyclopenta-1,4-dien-1-yl]-trimethylsilane;hafnium.

Molecular Properties

Compound Name[4-chloro-5-[(2-chloro-5-trimethylsilylcyclopenta-1,4-dien-1-yl)methyl]cyclopenta-1,4-dien-1-yl]-trimethylsilane;hafnium
PubChem CID87079824
Molecular FormulaC17H26Cl2HfSi2
Molecular Weight535.96 g/mol
Exact Mass536.04
IUPAC Name[4-chloro-5-[(2-chloro-5-trimethylsilylcyclopenta-1,4-dien-1-yl)methyl]cyclopenta-1,4-dien-1-yl]-trimethylsilane;hafnium
SMILESC[Si](C)(C)C1=CCC(Cl)=C1CC1=C(Cl)CC=C1[Si](C)(C)C.[Hf]
InChIInChI=1S/C17H26Cl2Si2.Hf/c1-20(2,3)16-9-7-14(18)12(16)11-13-15(19)8-10-17(13)21(4,5)6;/h9-10H,7-8,11H2,1-6H3;
InChIKeyIKMQGJTURGUCTF-UHFFFAOYSA-N
XLogP6.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.96
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [4-chloro-5-[(2-chloro-5-trimethylsilylcyclopenta-1,4-dien-1-yl)methyl]cyclopenta-1,4-dien-1-yl]-trimethylsilane;hafnium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-chloro-5-[(2-chloro-5-trimethylsilylcyclopenta-1,4-dien-1-yl)methyl]cyclopenta-1,4-dien-1-yl]-trimethylsilane;hafnium?
The IUPAC name of [4-chloro-5-[(2-chloro-5-trimethylsilylcyclopenta-1,4-dien-1-yl)methyl]cyclopenta-1,4-dien-1-yl]-trimethylsilane;hafnium (CID 87079824) is [4-chloro-5-[(2-chloro-5-trimethylsilylcyclopenta-1,4-dien-1-yl)methyl]cyclopenta-1,4-dien-1-yl]-trimethylsilane;hafnium.
What is the SMILES notation for [4-chloro-5-[(2-chloro-5-trimethylsilylcyclopenta-1,4-dien-1-yl)methyl]cyclopenta-1,4-dien-1-yl]-trimethylsilane;hafnium?
The canonical SMILES for [4-chloro-5-[(2-chloro-5-trimethylsilylcyclopenta-1,4-dien-1-yl)methyl]cyclopenta-1,4-dien-1-yl]-trimethylsilane;hafnium is C[Si](C)(C)C1=CCC(Cl)=C1CC1=C(Cl)CC=C1[Si](C)(C)C.[Hf].
What is the InChIKey of [4-chloro-5-[(2-chloro-5-trimethylsilylcyclopenta-1,4-dien-1-yl)methyl]cyclopenta-1,4-dien-1-yl]-trimethylsilane;hafnium?
The InChIKey is IKMQGJTURGUCTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26Cl2Si2.Hf/c1-20(2,3)16-9-7-14(18)12(16)11-13-15(19)8-10-17(13)21(4,5)6;/h9-10H,7-8,11H2,1-6H3;.
What are the key properties of [4-chloro-5-[(2-chloro-5-trimethylsilylcyclopenta-1,4-dien-1-yl)methyl]cyclopenta-1,4-dien-1-yl]-trimethylsilane;hafnium?
[4-chloro-5-[(2-chloro-5-trimethylsilylcyclopenta-1,4-dien-1-yl)methyl]cyclopenta-1,4-dien-1-yl]-trimethylsilane;hafnium has a molecular weight of 535.96 g/mol, XLogP of 6.77, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-5-[(2-chloro-5-trimethylsilylcyclopenta-1,4-dien-1-yl)methyl]cyclopenta-1,4-dien-1-yl]-trimethylsilane;hafnium is sourced from PubChem (CID 87079824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).