2-(cyclohexa-2,4-dien-1-ylmethoxy)ethyl-trimethylsilane

C12H22OSi — CID 141048919

IUPAC2-(cyclohexa-2,4-dien-1-ylmethoxy)ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCC1C=CC=CC1
InChIInChI=1S/C12H22OSi/c1-14(2,3)10-9-13-11-12-7-5-4-6-8-12/h4-7,12H,8-11H2,1-3H3
InChIKeyUMXHVTMDCVWBHV-UHFFFAOYSA-N
MW210.39 g/mol
LogP3.47
Rot. Bonds5

About 2-(cyclohexa-2,4-dien-1-ylmethoxy)ethyl-trimethylsilane

2-(cyclohexa-2,4-dien-1-ylmethoxy)ethyl-trimethylsilane (PubChem CID 141048919) has the molecular formula C12H22OSi and a molecular weight of 210.39 g/mol. Its IUPAC name is 2-(cyclohexa-2,4-dien-1-ylmethoxy)ethyl-trimethylsilane.

Molecular Properties

Compound Name2-(cyclohexa-2,4-dien-1-ylmethoxy)ethyl-trimethylsilane
PubChem CID141048919
Molecular FormulaC12H22OSi
Molecular Weight210.39 g/mol
Exact Mass210.14
IUPAC Name2-(cyclohexa-2,4-dien-1-ylmethoxy)ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCC1C=CC=CC1
InChIInChI=1S/C12H22OSi/c1-14(2,3)10-9-13-11-12-7-5-4-6-8-12/h4-7,12H,8-11H2,1-3H3
InChIKeyUMXHVTMDCVWBHV-UHFFFAOYSA-N
XLogP3.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.39
LogP ≤ 53.47
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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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexa-2,4-dien-1-ylmethoxy)ethyl-trimethylsilane?
The IUPAC name of 2-(cyclohexa-2,4-dien-1-ylmethoxy)ethyl-trimethylsilane (CID 141048919) is 2-(cyclohexa-2,4-dien-1-ylmethoxy)ethyl-trimethylsilane.
What is the SMILES notation for 2-(cyclohexa-2,4-dien-1-ylmethoxy)ethyl-trimethylsilane?
The canonical SMILES for 2-(cyclohexa-2,4-dien-1-ylmethoxy)ethyl-trimethylsilane is C[Si](C)(C)CCOCC1C=CC=CC1.
What is the InChIKey of 2-(cyclohexa-2,4-dien-1-ylmethoxy)ethyl-trimethylsilane?
The InChIKey is UMXHVTMDCVWBHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22OSi/c1-14(2,3)10-9-13-11-12-7-5-4-6-8-12/h4-7,12H,8-11H2,1-3H3.
What are the key properties of 2-(cyclohexa-2,4-dien-1-ylmethoxy)ethyl-trimethylsilane?
2-(cyclohexa-2,4-dien-1-ylmethoxy)ethyl-trimethylsilane has a molecular weight of 210.39 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexa-2,4-dien-1-ylmethoxy)ethyl-trimethylsilane is sourced from PubChem (CID 141048919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).