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

C11H20O2Si — CID 174284789

IUPAC(2-butylcyclopenta-1,3-dien-1-yl)-dimethoxysilane
SMILESCCCCC1=C([SiH](OC)OC)CC=C1
InChIInChI=1S/C11H20O2Si/c1-4-5-7-10-8-6-9-11(10)14(12-2)13-3/h6,8,14H,4-5,7,9H2,1-3H3
InChIKeyGEJUHUYJCWUMEB-UHFFFAOYSA-N
MW212.36 g/mol
LogP2.49
Rot. Bonds6

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

(2-butylcyclopenta-1,3-dien-1-yl)-dimethoxysilane (PubChem CID 174284789) has the molecular formula C11H20O2Si and a molecular weight of 212.36 g/mol. Its IUPAC name is (2-butylcyclopenta-1,3-dien-1-yl)-dimethoxysilane.

Molecular Properties

Compound Name(2-butylcyclopenta-1,3-dien-1-yl)-dimethoxysilane
PubChem CID174284789
Molecular FormulaC11H20O2Si
Molecular Weight212.36 g/mol
Exact Mass212.12
IUPAC Name(2-butylcyclopenta-1,3-dien-1-yl)-dimethoxysilane
SMILESCCCCC1=C([SiH](OC)OC)CC=C1
InChIInChI=1S/C11H20O2Si/c1-4-5-7-10-8-6-9-11(10)14(12-2)13-3/h6,8,14H,4-5,7,9H2,1-3H3
InChIKeyGEJUHUYJCWUMEB-UHFFFAOYSA-N
XLogP2.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3-Cyclopentadienylpropyl)triethoxysilane
CID 19428923
Cyclopenta-1,3-dien-1-ylmethyl(triethoxy)silane
CID 15185248
3-Cyclopenta-1,4-dien-1-ylpropyl(trimethoxy)silane
CID 13976359
[3-(Cyclopenta-1,3-dien-1-yl)propyl](trimethoxy)silane
CID 13976360
Cyclopenta-1,3-dien-1-ylmethyl(trimethoxy)silane
CID 20163167
Trimethoxy-[[2-(trimethoxysilylmethyl)cyclopenta-1,3-dien-1-yl]methyl]silane
CID 20163170
Tributoxy-(2-propylcyclopenta-1,4-dien-1-yl)silane
CID 20163171
Trimethoxy-[1-[2-(1-trimethoxysilylpropyl)cyclopenta-1,3-dien-1-yl]propyl]silane
CID 20163177
1-Cyclopenta-1,3-dien-1-ylpropyl(triethoxy)silane
CID 21896150
1-Cyclopenta-1,3-dien-1-ylpropyl(trimethoxy)silane
CID 22648557
Bis(2-butylcyclopenta-1,3-dien-1-yl)-dimethoxysilane
CID 22988557
Cyclopenten-1-ylmethyl(trimethoxy)silane
CID 23109715

Frequently Asked Questions

What is the IUPAC name of (2-butylcyclopenta-1,3-dien-1-yl)-dimethoxysilane?
The IUPAC name of (2-butylcyclopenta-1,3-dien-1-yl)-dimethoxysilane (CID 174284789) is (2-butylcyclopenta-1,3-dien-1-yl)-dimethoxysilane.
What is the SMILES notation for (2-butylcyclopenta-1,3-dien-1-yl)-dimethoxysilane?
The canonical SMILES for (2-butylcyclopenta-1,3-dien-1-yl)-dimethoxysilane is CCCCC1=C([SiH](OC)OC)CC=C1.
What is the InChIKey of (2-butylcyclopenta-1,3-dien-1-yl)-dimethoxysilane?
The InChIKey is GEJUHUYJCWUMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2Si/c1-4-5-7-10-8-6-9-11(10)14(12-2)13-3/h6,8,14H,4-5,7,9H2,1-3H3.
What are the key properties of (2-butylcyclopenta-1,3-dien-1-yl)-dimethoxysilane?
(2-butylcyclopenta-1,3-dien-1-yl)-dimethoxysilane has a molecular weight of 212.36 g/mol, XLogP of 2.49, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-butylcyclopenta-1,3-dien-1-yl)-dimethoxysilane is sourced from PubChem (CID 174284789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).