(3-tert-butylcyclopenta-2,4-dien-1-yl)-ethoxy-dimethylsilane

C13H24OSi — CID 11987021

IUPAC(3-tert-butylcyclopenta-2,4-dien-1-yl)-ethoxy-dimethylsilane
SMILESCCO[Si](C)(C)C1C=CC(C(C)(C)C)=C1
InChIInChI=1S/C13H24OSi/c1-7-14-15(5,6)12-9-8-11(10-12)13(2,3)4/h8-10,12H,7H2,1-6H3
InChIKeyFDLVLABGWRMVCE-UHFFFAOYSA-N
MW224.42 g/mol
LogP4.14
Rot. Bonds3

About (3-tert-butylcyclopenta-2,4-dien-1-yl)-ethoxy-dimethylsilane

(3-tert-butylcyclopenta-2,4-dien-1-yl)-ethoxy-dimethylsilane (PubChem CID 11987021) has the molecular formula C13H24OSi and a molecular weight of 224.42 g/mol. Its IUPAC name is (3-tert-butylcyclopenta-2,4-dien-1-yl)-ethoxy-dimethylsilane.

Molecular Properties

Compound Name(3-tert-butylcyclopenta-2,4-dien-1-yl)-ethoxy-dimethylsilane
PubChem CID11987021
Molecular FormulaC13H24OSi
Molecular Weight224.42 g/mol
Exact Mass224.16
IUPAC Name(3-tert-butylcyclopenta-2,4-dien-1-yl)-ethoxy-dimethylsilane
SMILESCCO[Si](C)(C)C1C=CC(C(C)(C)C)=C1
InChIInChI=1S/C13H24OSi/c1-7-14-15(5,6)12-9-8-11(10-12)13(2,3)4/h8-10,12H,7H2,1-6H3
InChIKeyFDLVLABGWRMVCE-UHFFFAOYSA-N
XLogP4.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.42
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Cyclopentadienyldimethylethoxysilane
CID 517116
Tert-butyl-[(1,5-dimethylcyclohexa-2,4-dien-1-yl)methoxy]-dimethylsilane
CID 101400087
tert-butyl-[(2Z)-3-ethenyl-4-methylpenta-2,4-dienoxy]-dimethylsilane
CID 101855242
tert-butyl-[(2E)-3-ethenyl-4-methylpenta-2,4-dienoxy]-dimethylsilane
CID 101855243
tert-butyl-dimethyl-[(E)-2-methylidenehept-3-enoxy]silane
CID 134916482
Silane, [(2-ethenyl-2,5-dimethyl-4-hexenyl)oxy]trimethyl-
CID 552672
1,3-Cyclopentadiene, 5,5-dimethyl-1-(trimethylsilylmethyl)-
CID 552783
Aainccpsbhxxce-hjwrwdbzsa-
CID 13099243
Tert-butyl-(4-ethenylhexa-3,5-dienoxy)-dimethylsilane
CID 102401330
Cyclopenta-2,4-dien-1-yl-ethoxy-dimethylsilane
CID 12610189
6-(Tert-butyldimethylsilyloxy)fulvene
CID 13476948
Cyclopenta-1,3-dien-1-yl-ethoxy-diethylsilane
CID 13951241

Frequently Asked Questions

What is the IUPAC name of (3-tert-butylcyclopenta-2,4-dien-1-yl)-ethoxy-dimethylsilane?
The IUPAC name of (3-tert-butylcyclopenta-2,4-dien-1-yl)-ethoxy-dimethylsilane (CID 11987021) is (3-tert-butylcyclopenta-2,4-dien-1-yl)-ethoxy-dimethylsilane.
What is the SMILES notation for (3-tert-butylcyclopenta-2,4-dien-1-yl)-ethoxy-dimethylsilane?
The canonical SMILES for (3-tert-butylcyclopenta-2,4-dien-1-yl)-ethoxy-dimethylsilane is CCO[Si](C)(C)C1C=CC(C(C)(C)C)=C1.
What is the InChIKey of (3-tert-butylcyclopenta-2,4-dien-1-yl)-ethoxy-dimethylsilane?
The InChIKey is FDLVLABGWRMVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24OSi/c1-7-14-15(5,6)12-9-8-11(10-12)13(2,3)4/h8-10,12H,7H2,1-6H3.
What are the key properties of (3-tert-butylcyclopenta-2,4-dien-1-yl)-ethoxy-dimethylsilane?
(3-tert-butylcyclopenta-2,4-dien-1-yl)-ethoxy-dimethylsilane has a molecular weight of 224.42 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butylcyclopenta-2,4-dien-1-yl)-ethoxy-dimethylsilane is sourced from PubChem (CID 11987021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).