chloro-(cyclopenta-1,3-dien-1-ylmethyl)-dimethylsilane

C8H13ClSi — CID 69428205

IUPACchloro-(cyclopenta-1,3-dien-1-ylmethyl)-dimethylsilane
SMILESC[Si](C)(Cl)CC1=CC=CC1
InChIInChI=1S/C8H13ClSi/c1-10(2,9)7-8-5-3-4-6-8/h3-5H,6-7H2,1-2H3
InChIKeyYAPQEXLROLUYTF-UHFFFAOYSA-N
MW172.73 g/mol
LogP3.32
Rot. Bonds2

About chloro-(cyclopenta-1,3-dien-1-ylmethyl)-dimethylsilane

chloro-(cyclopenta-1,3-dien-1-ylmethyl)-dimethylsilane (PubChem CID 69428205) has the molecular formula C8H13ClSi and a molecular weight of 172.73 g/mol. Its IUPAC name is chloro-(cyclopenta-1,3-dien-1-ylmethyl)-dimethylsilane.

Molecular Properties

Compound Namechloro-(cyclopenta-1,3-dien-1-ylmethyl)-dimethylsilane
PubChem CID69428205
Molecular FormulaC8H13ClSi
Molecular Weight172.73 g/mol
Exact Mass172.05
IUPAC Namechloro-(cyclopenta-1,3-dien-1-ylmethyl)-dimethylsilane
SMILESC[Si](C)(Cl)CC1=CC=CC1
InChIInChI=1S/C8H13ClSi/c1-10(2,9)7-8-5-3-4-6-8/h3-5H,6-7H2,1-2H3
InChIKeyYAPQEXLROLUYTF-UHFFFAOYSA-N
XLogP3.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.73
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chloro-(cyclopenta-1,3-dien-1-ylmethyl)-dimethylsilane?
The IUPAC name of chloro-(cyclopenta-1,3-dien-1-ylmethyl)-dimethylsilane (CID 69428205) is chloro-(cyclopenta-1,3-dien-1-ylmethyl)-dimethylsilane.
What is the SMILES notation for chloro-(cyclopenta-1,3-dien-1-ylmethyl)-dimethylsilane?
The canonical SMILES for chloro-(cyclopenta-1,3-dien-1-ylmethyl)-dimethylsilane is C[Si](C)(Cl)CC1=CC=CC1.
What is the InChIKey of chloro-(cyclopenta-1,3-dien-1-ylmethyl)-dimethylsilane?
The InChIKey is YAPQEXLROLUYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClSi/c1-10(2,9)7-8-5-3-4-6-8/h3-5H,6-7H2,1-2H3.
What are the key properties of chloro-(cyclopenta-1,3-dien-1-ylmethyl)-dimethylsilane?
chloro-(cyclopenta-1,3-dien-1-ylmethyl)-dimethylsilane has a molecular weight of 172.73 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-(cyclopenta-1,3-dien-1-ylmethyl)-dimethylsilane is sourced from PubChem (CID 69428205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).