(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl-trimethylsilane

C11H20Si — CID 552782

IUPAC(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl-trimethylsilane
SMILESCC1(C)C=CC(C[Si](C)(C)C)=C1
InChIInChI=1S/C11H20Si/c1-11(2)7-6-10(8-11)9-12(3,4)5/h6-8H,9H2,1-5H3
InChIKeyMORRTWOETLSEOG-UHFFFAOYSA-N
MW180.37 g/mol
LogP3.85
Rot. Bonds2

About (3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl-trimethylsilane

(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl-trimethylsilane (PubChem CID 552782) has the molecular formula C11H20Si and a molecular weight of 180.37 g/mol. Its IUPAC name is (3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl-trimethylsilane.

Molecular Properties

Compound Name(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl-trimethylsilane
PubChem CID552782
Molecular FormulaC11H20Si
Molecular Weight180.37 g/mol
Exact Mass180.13
IUPAC Name(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl-trimethylsilane
SMILESCC1(C)C=CC(C[Si](C)(C)C)=C1
InChIInChI=1S/C11H20Si/c1-11(2)7-6-10(8-11)9-12(3,4)5/h6-8H,9H2,1-5H3
InChIKeyMORRTWOETLSEOG-UHFFFAOYSA-N
XLogP3.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.37
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

5-Trimethylsilylcyclopentadiene
CID 91288
Silane, 2,4-cyclopentadien-1-ylidenebis(trimethyl-
CID 141813
1,3-Cyclopentadiene, (trimethylsilyl)-
CID 12024673
2,5,5-Tris(trimethylsilyl)-1,3-cyclopentadiene
CID 4181619
Cyclopenta-1,4-dien-1-yl(trimethyl)silane
CID 12973240
Silane, trimethyl[1-(1-methylethenyl)-1-butenyl]-, (E)-
CID 5366644
Silane, dimethyldi(2,4-cyclopentadien-1-yl)-
CID 579493
[(6E)-2,2-dimethylocta-3,4,6-trien-3-yl]-trimethylsilane
CID 642580
[(4Z)-1-tert-butylhexa-1,2,4-trien-1-yl](trimethyl)silane
CID 643933
[(Z)-4,4-dimethylpent-2-enyl]-trimethylsilane
CID 13215156
[(E)-2-(cyclopenten-1-yl)ethenyl]-trimethylsilane
CID 14175462
(e)-5-(Diethylboryl)-2-methyl-4-(trimethylsilyl)-hepta-2,4-diene
CID 14436725

Frequently Asked Questions

What is the IUPAC name of (3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl-trimethylsilane?
The IUPAC name of (3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl-trimethylsilane (CID 552782) is (3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl-trimethylsilane.
What is the SMILES notation for (3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl-trimethylsilane?
The canonical SMILES for (3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl-trimethylsilane is CC1(C)C=CC(C[Si](C)(C)C)=C1.
What is the InChIKey of (3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl-trimethylsilane?
The InChIKey is MORRTWOETLSEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20Si/c1-11(2)7-6-10(8-11)9-12(3,4)5/h6-8H,9H2,1-5H3.
What are the key properties of (3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl-trimethylsilane?
(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl-trimethylsilane has a molecular weight of 180.37 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl-trimethylsilane is sourced from PubChem (CID 552782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).