1-cyclohex-2-en-1-ylethyl-diethoxy-methylsilane

C13H26O2Si — CID 23439143

IUPAC1-cyclohex-2-en-1-ylethyl-diethoxy-methylsilane
SMILESCCO[Si](C)(OCC)C(C)C1C=CCCC1
InChIInChI=1S/C13H26O2Si/c1-5-14-16(4,15-6-2)12(3)13-10-8-7-9-11-13/h8,10,12-13H,5-7,9,11H2,1-4H3
InChIKeyDSTMWALTBXVLMI-UHFFFAOYSA-N
MW242.43 g/mol
LogP3.88
Rot. Bonds6

About 1-cyclohex-2-en-1-ylethyl-diethoxy-methylsilane

1-cyclohex-2-en-1-ylethyl-diethoxy-methylsilane (PubChem CID 23439143) has the molecular formula C13H26O2Si and a molecular weight of 242.43 g/mol. Its IUPAC name is 1-cyclohex-2-en-1-ylethyl-diethoxy-methylsilane.

Molecular Properties

Compound Name1-cyclohex-2-en-1-ylethyl-diethoxy-methylsilane
PubChem CID23439143
Molecular FormulaC13H26O2Si
Molecular Weight242.43 g/mol
Exact Mass242.17
IUPAC Name1-cyclohex-2-en-1-ylethyl-diethoxy-methylsilane
SMILESCCO[Si](C)(OCC)C(C)C1C=CCCC1
InChIInChI=1S/C13H26O2Si/c1-5-14-16(4,15-6-2)12(3)13-10-8-7-9-11-13/h8,10,12-13H,5-7,9,11H2,1-4H3
InChIKeyDSTMWALTBXVLMI-UHFFFAOYSA-N
XLogP3.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohex-2-en-1-ylethyl-diethoxy-methylsilane?
The IUPAC name of 1-cyclohex-2-en-1-ylethyl-diethoxy-methylsilane (CID 23439143) is 1-cyclohex-2-en-1-ylethyl-diethoxy-methylsilane.
What is the SMILES notation for 1-cyclohex-2-en-1-ylethyl-diethoxy-methylsilane?
The canonical SMILES for 1-cyclohex-2-en-1-ylethyl-diethoxy-methylsilane is CCO[Si](C)(OCC)C(C)C1C=CCCC1.
What is the InChIKey of 1-cyclohex-2-en-1-ylethyl-diethoxy-methylsilane?
The InChIKey is DSTMWALTBXVLMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2Si/c1-5-14-16(4,15-6-2)12(3)13-10-8-7-9-11-13/h8,10,12-13H,5-7,9,11H2,1-4H3.
What are the key properties of 1-cyclohex-2-en-1-ylethyl-diethoxy-methylsilane?
1-cyclohex-2-en-1-ylethyl-diethoxy-methylsilane has a molecular weight of 242.43 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohex-2-en-1-ylethyl-diethoxy-methylsilane is sourced from PubChem (CID 23439143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).