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

C12H22OSi — CID 173208038

IUPAC[butoxy(cyclopenta-1,4-dien-1-yl)methyl]-dimethylsilane
SMILESCCCCOC(C1=CCC=C1)[SiH](C)C
InChIInChI=1S/C12H22OSi/c1-4-5-10-13-12(14(2)3)11-8-6-7-9-11/h6,8-9,12,14H,4-5,7,10H2,1-3H3
InChIKeyIRDRXPSFIZQLJN-UHFFFAOYSA-N
MW210.39 g/mol
LogP3.08
Rot. Bonds6

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

[butoxy(cyclopenta-1,4-dien-1-yl)methyl]-dimethylsilane (PubChem CID 173208038) has the molecular formula C12H22OSi and a molecular weight of 210.39 g/mol. Its IUPAC name is [butoxy(cyclopenta-1,4-dien-1-yl)methyl]-dimethylsilane.

Molecular Properties

Compound Name[butoxy(cyclopenta-1,4-dien-1-yl)methyl]-dimethylsilane
PubChem CID173208038
Molecular FormulaC12H22OSi
Molecular Weight210.39 g/mol
Exact Mass210.14
IUPAC Name[butoxy(cyclopenta-1,4-dien-1-yl)methyl]-dimethylsilane
SMILESCCCCOC(C1=CCC=C1)[SiH](C)C
InChIInChI=1S/C12H22OSi/c1-4-5-10-13-12(14(2)3)11-8-6-7-9-11/h6,8-9,12,14H,4-5,7,10H2,1-3H3
InChIKeyIRDRXPSFIZQLJN-UHFFFAOYSA-N
XLogP3.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.39
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-dimethyl-[(3E)-3-(4-methylideneoxolan-3-ylidene)prop-1-en-2-yl]oxysilane
CID 134863591
[(2-Methoxy)ethyl]-trimethylsilylcyclopentadiene
CID 18704298
[2-(1-Methoxyethyl)cyclopenta-1,3-dien-1-yl]-trimethylsilane
CID 18766820
2-(Butoxymethyl)cyclopenta-1,3-diene
CID 22555387
(1-Butoxy-2-methylcyclohexa-2,4-dien-1-yl)-cyclopenta-1,3-dien-1-yl-dimethylsilane
CID 70017508
Trimethyl-(1-propoxycyclopenta-2,4-dien-1-yl)silane
CID 140045016
[2-(Methoxymethyl)cyclopenta-1,4-dien-1-yl]-trimethylsilane
CID 141806268
ethane;(3E,4E)-3-ethylidene-4-prop-2-enylideneoxolane
CID 145507064
[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

Frequently Asked Questions

What is the IUPAC name of [butoxy(cyclopenta-1,4-dien-1-yl)methyl]-dimethylsilane?
The IUPAC name of [butoxy(cyclopenta-1,4-dien-1-yl)methyl]-dimethylsilane (CID 173208038) is [butoxy(cyclopenta-1,4-dien-1-yl)methyl]-dimethylsilane.
What is the SMILES notation for [butoxy(cyclopenta-1,4-dien-1-yl)methyl]-dimethylsilane?
The canonical SMILES for [butoxy(cyclopenta-1,4-dien-1-yl)methyl]-dimethylsilane is CCCCOC(C1=CCC=C1)[SiH](C)C.
What is the InChIKey of [butoxy(cyclopenta-1,4-dien-1-yl)methyl]-dimethylsilane?
The InChIKey is IRDRXPSFIZQLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22OSi/c1-4-5-10-13-12(14(2)3)11-8-6-7-9-11/h6,8-9,12,14H,4-5,7,10H2,1-3H3.
What are the key properties of [butoxy(cyclopenta-1,4-dien-1-yl)methyl]-dimethylsilane?
[butoxy(cyclopenta-1,4-dien-1-yl)methyl]-dimethylsilane has a molecular weight of 210.39 g/mol, XLogP of 3.08, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [butoxy(cyclopenta-1,4-dien-1-yl)methyl]-dimethylsilane is sourced from PubChem (CID 173208038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).