bis(2-butylcyclopenta-1,3-dien-1-yl)-dimethoxysilane

C20H32O2Si — CID 22988557

IUPACbis(2-butylcyclopenta-1,3-dien-1-yl)-dimethoxysilane
SMILESCCCCC1=C([Si](OC)(OC)C2=C(CCCC)C=CC2)CC=C1
InChIInChI=1S/C20H32O2Si/c1-5-7-11-17-13-9-15-19(17)23(21-3,22-4)20-16-10-14-18(20)12-8-6-2/h9-10,13-14H,5-8,11-12,15-16H2,1-4H3
InChIKeyKDEVWWOZWLEOHS-UHFFFAOYSA-N
MW332.56 g/mol
LogP5.69
Rot. Bonds10

About bis(2-butylcyclopenta-1,3-dien-1-yl)-dimethoxysilane

bis(2-butylcyclopenta-1,3-dien-1-yl)-dimethoxysilane (PubChem CID 22988557) has the molecular formula C20H32O2Si and a molecular weight of 332.56 g/mol. Its IUPAC name is bis(2-butylcyclopenta-1,3-dien-1-yl)-dimethoxysilane.

Molecular Properties

Compound Namebis(2-butylcyclopenta-1,3-dien-1-yl)-dimethoxysilane
PubChem CID22988557
Molecular FormulaC20H32O2Si
Molecular Weight332.56 g/mol
Exact Mass332.22
IUPAC Namebis(2-butylcyclopenta-1,3-dien-1-yl)-dimethoxysilane
SMILESCCCCC1=C([Si](OC)(OC)C2=C(CCCC)C=CC2)CC=C1
InChIInChI=1S/C20H32O2Si/c1-5-7-11-17-13-9-15-19(17)23(21-3,22-4)20-16-10-14-18(20)12-8-6-2/h9-10,13-14H,5-8,11-12,15-16H2,1-4H3
InChIKeyKDEVWWOZWLEOHS-UHFFFAOYSA-N
XLogP5.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.56
LogP ≤ 55.69
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 bis(2-butylcyclopenta-1,3-dien-1-yl)-dimethoxysilane?
The IUPAC name of bis(2-butylcyclopenta-1,3-dien-1-yl)-dimethoxysilane (CID 22988557) is bis(2-butylcyclopenta-1,3-dien-1-yl)-dimethoxysilane.
What is the SMILES notation for bis(2-butylcyclopenta-1,3-dien-1-yl)-dimethoxysilane?
The canonical SMILES for bis(2-butylcyclopenta-1,3-dien-1-yl)-dimethoxysilane is CCCCC1=C([Si](OC)(OC)C2=C(CCCC)C=CC2)CC=C1.
What is the InChIKey of bis(2-butylcyclopenta-1,3-dien-1-yl)-dimethoxysilane?
The InChIKey is KDEVWWOZWLEOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O2Si/c1-5-7-11-17-13-9-15-19(17)23(21-3,22-4)20-16-10-14-18(20)12-8-6-2/h9-10,13-14H,5-8,11-12,15-16H2,1-4H3.
What are the key properties of bis(2-butylcyclopenta-1,3-dien-1-yl)-dimethoxysilane?
bis(2-butylcyclopenta-1,3-dien-1-yl)-dimethoxysilane has a molecular weight of 332.56 g/mol, XLogP of 5.69, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-butylcyclopenta-1,3-dien-1-yl)-dimethoxysilane is sourced from PubChem (CID 22988557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).