(3-ethenyl-2,3-diethoxycyclohexen-1-yl)oxysilane

C12H22O3Si — CID 173419809

IUPAC(3-ethenyl-2,3-diethoxycyclohexen-1-yl)oxysilane
SMILESC=CC1(OCC)CCCC(O[SiH3])=C1OCC
InChIInChI=1S/C12H22O3Si/c1-4-12(14-6-3)9-7-8-10(15-16)11(12)13-5-2/h4H,1,5-9H2,2-3,16H3
InChIKeyMRHXPLVKQZTICQ-UHFFFAOYSA-N
MW242.39 g/mol
LogP1.68
Rot. Bonds6

About (3-ethenyl-2,3-diethoxycyclohexen-1-yl)oxysilane

(3-ethenyl-2,3-diethoxycyclohexen-1-yl)oxysilane (PubChem CID 173419809) has the molecular formula C12H22O3Si and a molecular weight of 242.39 g/mol. Its IUPAC name is (3-ethenyl-2,3-diethoxycyclohexen-1-yl)oxysilane.

Molecular Properties

Compound Name(3-ethenyl-2,3-diethoxycyclohexen-1-yl)oxysilane
PubChem CID173419809
Molecular FormulaC12H22O3Si
Molecular Weight242.39 g/mol
Exact Mass242.13
IUPAC Name(3-ethenyl-2,3-diethoxycyclohexen-1-yl)oxysilane
SMILESC=CC1(OCC)CCCC(O[SiH3])=C1OCC
InChIInChI=1S/C12H22O3Si/c1-4-12(14-6-3)9-7-8-10(15-16)11(12)13-5-2/h4H,1,5-9H2,2-3,16H3
InChIKeyMRHXPLVKQZTICQ-UHFFFAOYSA-N
XLogP1.68
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (3-ethenyl-2,3-diethoxycyclohexen-1-yl)oxysilane?
The IUPAC name of (3-ethenyl-2,3-diethoxycyclohexen-1-yl)oxysilane (CID 173419809) is (3-ethenyl-2,3-diethoxycyclohexen-1-yl)oxysilane.
What is the SMILES notation for (3-ethenyl-2,3-diethoxycyclohexen-1-yl)oxysilane?
The canonical SMILES for (3-ethenyl-2,3-diethoxycyclohexen-1-yl)oxysilane is C=CC1(OCC)CCCC(O[SiH3])=C1OCC.
What is the InChIKey of (3-ethenyl-2,3-diethoxycyclohexen-1-yl)oxysilane?
The InChIKey is MRHXPLVKQZTICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3Si/c1-4-12(14-6-3)9-7-8-10(15-16)11(12)13-5-2/h4H,1,5-9H2,2-3,16H3.
What are the key properties of (3-ethenyl-2,3-diethoxycyclohexen-1-yl)oxysilane?
(3-ethenyl-2,3-diethoxycyclohexen-1-yl)oxysilane has a molecular weight of 242.39 g/mol, XLogP of 1.68, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethenyl-2,3-diethoxycyclohexen-1-yl)oxysilane is sourced from PubChem (CID 173419809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).