di(cyclopenta-1,3-dien-1-yl)-ethyl-methylsilane

C13H18Si — CID 18430507

IUPACdi(cyclopenta-1,3-dien-1-yl)-ethyl-methylsilane
SMILESCC[Si](C)(C1=CC=CC1)C1=CC=CC1
InChIInChI=1S/C13H18Si/c1-3-14(2,12-8-4-5-9-12)13-10-6-7-11-13/h4-8,10H,3,9,11H2,1-2H3
InChIKeyHQZADNSUMUYXMA-UHFFFAOYSA-N
MW202.37 g/mol
LogP3.94
Rot. Bonds3

About di(cyclopenta-1,3-dien-1-yl)-ethyl-methylsilane

di(cyclopenta-1,3-dien-1-yl)-ethyl-methylsilane (PubChem CID 18430507) has the molecular formula C13H18Si and a molecular weight of 202.37 g/mol. Its IUPAC name is di(cyclopenta-1,3-dien-1-yl)-ethyl-methylsilane.

Molecular Properties

Compound Namedi(cyclopenta-1,3-dien-1-yl)-ethyl-methylsilane
PubChem CID18430507
Molecular FormulaC13H18Si
Molecular Weight202.37 g/mol
Exact Mass202.12
IUPAC Namedi(cyclopenta-1,3-dien-1-yl)-ethyl-methylsilane
SMILESCC[Si](C)(C1=CC=CC1)C1=CC=CC1
InChIInChI=1S/C13H18Si/c1-3-14(2,12-8-4-5-9-12)13-10-6-7-11-13/h4-8,10H,3,9,11H2,1-2H3
InChIKeyHQZADNSUMUYXMA-UHFFFAOYSA-N
XLogP3.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.37
LogP ≤ 53.94
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 di(cyclopenta-1,3-dien-1-yl)-ethyl-methylsilane?
The IUPAC name of di(cyclopenta-1,3-dien-1-yl)-ethyl-methylsilane (CID 18430507) is di(cyclopenta-1,3-dien-1-yl)-ethyl-methylsilane.
What is the SMILES notation for di(cyclopenta-1,3-dien-1-yl)-ethyl-methylsilane?
The canonical SMILES for di(cyclopenta-1,3-dien-1-yl)-ethyl-methylsilane is CC[Si](C)(C1=CC=CC1)C1=CC=CC1.
What is the InChIKey of di(cyclopenta-1,3-dien-1-yl)-ethyl-methylsilane?
The InChIKey is HQZADNSUMUYXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Si/c1-3-14(2,12-8-4-5-9-12)13-10-6-7-11-13/h4-8,10H,3,9,11H2,1-2H3.
What are the key properties of di(cyclopenta-1,3-dien-1-yl)-ethyl-methylsilane?
di(cyclopenta-1,3-dien-1-yl)-ethyl-methylsilane has a molecular weight of 202.37 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for di(cyclopenta-1,3-dien-1-yl)-ethyl-methylsilane is sourced from PubChem (CID 18430507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).