[cyclopenta-1,4-dien-1-yl(methoxy)methyl]-dimethylsilane

C9H16OSi — CID 173207976

IUPAC[cyclopenta-1,4-dien-1-yl(methoxy)methyl]-dimethylsilane
SMILESCOC(C1=CCC=C1)[SiH](C)C
InChIInChI=1S/C9H16OSi/c1-10-9(11(2)3)8-6-4-5-7-8/h4,6-7,9,11H,5H2,1-3H3
InChIKeyXHYJJJHMVWBLMM-UHFFFAOYSA-N
MW168.31 g/mol
LogP1.91
Rot. Bonds3

About [cyclopenta-1,4-dien-1-yl(methoxy)methyl]-dimethylsilane

[cyclopenta-1,4-dien-1-yl(methoxy)methyl]-dimethylsilane (PubChem CID 173207976) has the molecular formula C9H16OSi and a molecular weight of 168.31 g/mol. Its IUPAC name is [cyclopenta-1,4-dien-1-yl(methoxy)methyl]-dimethylsilane.

Molecular Properties

Compound Name[cyclopenta-1,4-dien-1-yl(methoxy)methyl]-dimethylsilane
PubChem CID173207976
Molecular FormulaC9H16OSi
Molecular Weight168.31 g/mol
Exact Mass168.10
IUPAC Name[cyclopenta-1,4-dien-1-yl(methoxy)methyl]-dimethylsilane
SMILESCOC(C1=CCC=C1)[SiH](C)C
InChIInChI=1S/C9H16OSi/c1-10-9(11(2)3)8-6-4-5-7-8/h4,6-7,9,11H,5H2,1-3H3
InChIKeyXHYJJJHMVWBLMM-UHFFFAOYSA-N
XLogP1.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.31
LogP ≤ 51.91
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

[2-(1-Methoxyethyl)cyclopenta-1,3-dien-1-yl]-trimethylsilane
CID 18766820
tert-butyl-dimethyl-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienoxy]silane
CID 89476029
Trimethyl-(1-propoxycyclopenta-2,4-dien-1-yl)silane
CID 140045016
[2-(Methoxymethyl)cyclopenta-1,4-dien-1-yl]-trimethylsilane
CID 141806268
(1-Methoxycyclohexa-2,4-dien-1-yl)-dimethylsilane
CID 151314672
[Cyclopenta-1,4-dien-1-yl(propan-2-yloxy)methyl]-dimethylsilane;titanium(3+);dichloride
CID 173207920
(2-Cyclopenta-1,4-dien-1-yl-2-propoxyethyl)-dimethylsilane;titanium(3+);dichloride
CID 173207924
[Cyclopenta-1,4-dien-1-yl(propoxy)methyl]-dimethylsilane;titanium(3+);dichloride
CID 173207929
[Cyclopenta-1,4-dien-1-yl(methoxy)methyl]-dimethylsilane;titanium(3+);dichloride
CID 173207975
[Cyclopenta-1,4-dien-1-yl-[(2-methylpropan-2-yl)oxy]methyl]-dimethylsilane;titanium(3+);dichloride
CID 173207977
[Butoxy(cyclopenta-1,4-dien-1-yl)methyl]-dimethylsilane;titanium(3+);dichloride
CID 173208037
[Cyclopenta-1,4-dien-1-yl(ethoxy)methyl]-dimethylsilane;titanium(3+);dichloride
CID 173208112

Frequently Asked Questions

What is the IUPAC name of [cyclopenta-1,4-dien-1-yl(methoxy)methyl]-dimethylsilane?
The IUPAC name of [cyclopenta-1,4-dien-1-yl(methoxy)methyl]-dimethylsilane (CID 173207976) is [cyclopenta-1,4-dien-1-yl(methoxy)methyl]-dimethylsilane.
What is the SMILES notation for [cyclopenta-1,4-dien-1-yl(methoxy)methyl]-dimethylsilane?
The canonical SMILES for [cyclopenta-1,4-dien-1-yl(methoxy)methyl]-dimethylsilane is COC(C1=CCC=C1)[SiH](C)C.
What is the InChIKey of [cyclopenta-1,4-dien-1-yl(methoxy)methyl]-dimethylsilane?
The InChIKey is XHYJJJHMVWBLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16OSi/c1-10-9(11(2)3)8-6-4-5-7-8/h4,6-7,9,11H,5H2,1-3H3.
What are the key properties of [cyclopenta-1,4-dien-1-yl(methoxy)methyl]-dimethylsilane?
[cyclopenta-1,4-dien-1-yl(methoxy)methyl]-dimethylsilane has a molecular weight of 168.31 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [cyclopenta-1,4-dien-1-yl(methoxy)methyl]-dimethylsilane is sourced from PubChem (CID 173207976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).