cyclopenta-1,3-dien-1-yl-diethoxy-methylsilane

C10H18O2Si — CID 517110

IUPACcyclopenta-1,3-dien-1-yl-diethoxy-methylsilane
SMILESCCO[Si](C)(OCC)C1=CC=CC1
InChIInChI=1S/C10H18O2Si/c1-4-11-13(3,12-5-2)10-8-6-7-9-10/h6-8H,4-5,9H2,1-3H3
InChIKeyNZJYBNIPSMPZGW-UHFFFAOYSA-N
MW198.34 g/mol
LogP2.56
Rot. Bonds5

About cyclopenta-1,3-dien-1-yl-diethoxy-methylsilane

cyclopenta-1,3-dien-1-yl-diethoxy-methylsilane (PubChem CID 517110) has the molecular formula C10H18O2Si and a molecular weight of 198.34 g/mol. Its IUPAC name is cyclopenta-1,3-dien-1-yl-diethoxy-methylsilane.

Molecular Properties

Compound Namecyclopenta-1,3-dien-1-yl-diethoxy-methylsilane
PubChem CID517110
Molecular FormulaC10H18O2Si
Molecular Weight198.34 g/mol
Exact Mass198.11
IUPAC Namecyclopenta-1,3-dien-1-yl-diethoxy-methylsilane
SMILESCCO[Si](C)(OCC)C1=CC=CC1
InChIInChI=1S/C10H18O2Si/c1-4-11-13(3,12-5-2)10-8-6-7-9-10/h6-8H,4-5,9H2,1-3H3
InChIKeyNZJYBNIPSMPZGW-UHFFFAOYSA-N
XLogP2.56
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.34
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 cyclopenta-1,3-dien-1-yl-diethoxy-methylsilane?
The IUPAC name of cyclopenta-1,3-dien-1-yl-diethoxy-methylsilane (CID 517110) is cyclopenta-1,3-dien-1-yl-diethoxy-methylsilane.
What is the SMILES notation for cyclopenta-1,3-dien-1-yl-diethoxy-methylsilane?
The canonical SMILES for cyclopenta-1,3-dien-1-yl-diethoxy-methylsilane is CCO[Si](C)(OCC)C1=CC=CC1.
What is the InChIKey of cyclopenta-1,3-dien-1-yl-diethoxy-methylsilane?
The InChIKey is NZJYBNIPSMPZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2Si/c1-4-11-13(3,12-5-2)10-8-6-7-9-10/h6-8H,4-5,9H2,1-3H3.
What are the key properties of cyclopenta-1,3-dien-1-yl-diethoxy-methylsilane?
cyclopenta-1,3-dien-1-yl-diethoxy-methylsilane has a molecular weight of 198.34 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-dien-1-yl-diethoxy-methylsilane is sourced from PubChem (CID 517110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).