(2-butylcyclopenta-2,4-dien-1-yl)-trimethoxysilane

C12H22O3Si — CID 139699569

IUPAC(2-butylcyclopenta-2,4-dien-1-yl)-trimethoxysilane
SMILESCCCCC1=CC=CC1[Si](OC)(OC)OC
InChIInChI=1S/C12H22O3Si/c1-5-6-8-11-9-7-10-12(11)16(13-2,14-3)15-4/h7,9-10,12H,5-6,8H2,1-4H3
InChIKeyOPGQJOCMZFGAED-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.92
Rot. Bonds7

About (2-butylcyclopenta-2,4-dien-1-yl)-trimethoxysilane

(2-butylcyclopenta-2,4-dien-1-yl)-trimethoxysilane (PubChem CID 139699569) has the molecular formula C12H22O3Si and a molecular weight of 242.39 g/mol. Its IUPAC name is (2-butylcyclopenta-2,4-dien-1-yl)-trimethoxysilane.

Molecular Properties

Compound Name(2-butylcyclopenta-2,4-dien-1-yl)-trimethoxysilane
PubChem CID139699569
Molecular FormulaC12H22O3Si
Molecular Weight242.39 g/mol
Exact Mass242.13
IUPAC Name(2-butylcyclopenta-2,4-dien-1-yl)-trimethoxysilane
SMILESCCCCC1=CC=CC1[Si](OC)(OC)OC
InChIInChI=1S/C12H22O3Si/c1-5-6-8-11-9-7-10-12(11)16(13-2,14-3)15-4/h7,9-10,12H,5-6,8H2,1-4H3
InChIKeyOPGQJOCMZFGAED-UHFFFAOYSA-N
XLogP2.92
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tributoxy-(2-propylcyclopenta-2,4-dien-1-yl)silane
CID 70424528
(2-butylcyclopenta-2,4-dien-1-yl)silane
CID 150574947
1-butyl-5-methylcyclopenta-1,3-diene;dichlorotitanium
CID 174488581
(2-butylcyclopenta-2,4-dien-1-yl)-(3,5-dihexylphenyl)-dimethylsilane
CID 173383564
1,5-dibutylcyclopenta-1,3-diene;dichlorozirconium
CID 174628569
1-butyl-5-cyclopentylcyclopenta-1,3-diene
CID 159612509
1,5-dioctylcyclopenta-1,3-diene
CID 173106521
5-butylcyclohexa-2,4-dien-1-amine
CID 146424387
(2-butan-2-ylcyclopenta-2,4-dien-1-yl)-tris(4-butylphenyl)silane
CID 140852530
3-butyl-2-hexyl-1,2-dihydropyridine
CID 174837451
1-ethyl-5-methylcyclopenta-1,3-diene;titanium
CID 174586212
(3-butyloxiran-2-yl)-trimethoxysilane
CID 57184930

Frequently Asked Questions

What is the IUPAC name of (2-butylcyclopenta-2,4-dien-1-yl)-trimethoxysilane?
The IUPAC name of (2-butylcyclopenta-2,4-dien-1-yl)-trimethoxysilane (CID 139699569) is (2-butylcyclopenta-2,4-dien-1-yl)-trimethoxysilane.
What is the SMILES notation for (2-butylcyclopenta-2,4-dien-1-yl)-trimethoxysilane?
The canonical SMILES for (2-butylcyclopenta-2,4-dien-1-yl)-trimethoxysilane is CCCCC1=CC=CC1[Si](OC)(OC)OC.
What is the InChIKey of (2-butylcyclopenta-2,4-dien-1-yl)-trimethoxysilane?
The InChIKey is OPGQJOCMZFGAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3Si/c1-5-6-8-11-9-7-10-12(11)16(13-2,14-3)15-4/h7,9-10,12H,5-6,8H2,1-4H3.
What are the key properties of (2-butylcyclopenta-2,4-dien-1-yl)-trimethoxysilane?
(2-butylcyclopenta-2,4-dien-1-yl)-trimethoxysilane has a molecular weight of 242.39 g/mol, XLogP of 2.92, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-butylcyclopenta-2,4-dien-1-yl)-trimethoxysilane is sourced from PubChem (CID 139699569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).