dimethoxy-methyl-[3-(5-methylcyclopenta-1,4-dien-1-yl)propyl]silane

C12H22O2Si — CID 87079251

IUPACdimethoxy-methyl-[3-(5-methylcyclopenta-1,4-dien-1-yl)propyl]silane
SMILESCO[Si](C)(CCCC1=CCC=C1C)OC
InChIInChI=1S/C12H22O2Si/c1-11-7-5-8-12(11)9-6-10-15(4,13-2)14-3/h7-8H,5-6,9-10H2,1-4H3
InChIKeySXNZRFBWKZMMQR-UHFFFAOYSA-N
MW226.39 g/mol
LogP3.41
Rot. Bonds6

About dimethoxy-methyl-[3-(5-methylcyclopenta-1,4-dien-1-yl)propyl]silane

dimethoxy-methyl-[3-(5-methylcyclopenta-1,4-dien-1-yl)propyl]silane (PubChem CID 87079251) has the molecular formula C12H22O2Si and a molecular weight of 226.39 g/mol. Its IUPAC name is dimethoxy-methyl-[3-(5-methylcyclopenta-1,4-dien-1-yl)propyl]silane.

Molecular Properties

Compound Namedimethoxy-methyl-[3-(5-methylcyclopenta-1,4-dien-1-yl)propyl]silane
PubChem CID87079251
Molecular FormulaC12H22O2Si
Molecular Weight226.39 g/mol
Exact Mass226.14
IUPAC Namedimethoxy-methyl-[3-(5-methylcyclopenta-1,4-dien-1-yl)propyl]silane
SMILESCO[Si](C)(CCCC1=CCC=C1C)OC
InChIInChI=1S/C12H22O2Si/c1-11-7-5-8-12(11)9-6-10-15(4,13-2)14-3/h7-8H,5-6,9-10H2,1-4H3
InChIKeySXNZRFBWKZMMQR-UHFFFAOYSA-N
XLogP3.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 53.41
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 dimethoxy-methyl-[3-(5-methylcyclopenta-1,4-dien-1-yl)propyl]silane?
The IUPAC name of dimethoxy-methyl-[3-(5-methylcyclopenta-1,4-dien-1-yl)propyl]silane (CID 87079251) is dimethoxy-methyl-[3-(5-methylcyclopenta-1,4-dien-1-yl)propyl]silane.
What is the SMILES notation for dimethoxy-methyl-[3-(5-methylcyclopenta-1,4-dien-1-yl)propyl]silane?
The canonical SMILES for dimethoxy-methyl-[3-(5-methylcyclopenta-1,4-dien-1-yl)propyl]silane is CO[Si](C)(CCCC1=CCC=C1C)OC.
What is the InChIKey of dimethoxy-methyl-[3-(5-methylcyclopenta-1,4-dien-1-yl)propyl]silane?
The InChIKey is SXNZRFBWKZMMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2Si/c1-11-7-5-8-12(11)9-6-10-15(4,13-2)14-3/h7-8H,5-6,9-10H2,1-4H3.
What are the key properties of dimethoxy-methyl-[3-(5-methylcyclopenta-1,4-dien-1-yl)propyl]silane?
dimethoxy-methyl-[3-(5-methylcyclopenta-1,4-dien-1-yl)propyl]silane has a molecular weight of 226.39 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethoxy-methyl-[3-(5-methylcyclopenta-1,4-dien-1-yl)propyl]silane is sourced from PubChem (CID 87079251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).