2-(2-ethynylcyclohex-2-en-1-yl)ethoxy-tri(propan-2-yl)silane

C19H34OSi — CID 91457213

IUPAC2-(2-ethynylcyclohex-2-en-1-yl)ethoxy-tri(propan-2-yl)silane
SMILESC#CC1=CCCCC1CCO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C19H34OSi/c1-8-18-11-9-10-12-19(18)13-14-20-21(15(2)3,16(4)5)17(6)7/h1,11,15-17,19H,9-10,12-14H2,2-7H3
InChIKeyIZHLLQLXVXDOFZ-UHFFFAOYSA-N
MW306.57 g/mol
LogP5.93
Rot. Bonds7

About 2-(2-ethynylcyclohex-2-en-1-yl)ethoxy-tri(propan-2-yl)silane

2-(2-ethynylcyclohex-2-en-1-yl)ethoxy-tri(propan-2-yl)silane (PubChem CID 91457213) has the molecular formula C19H34OSi and a molecular weight of 306.57 g/mol. Its IUPAC name is 2-(2-ethynylcyclohex-2-en-1-yl)ethoxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name2-(2-ethynylcyclohex-2-en-1-yl)ethoxy-tri(propan-2-yl)silane
PubChem CID91457213
Molecular FormulaC19H34OSi
Molecular Weight306.57 g/mol
Exact Mass306.24
IUPAC Name2-(2-ethynylcyclohex-2-en-1-yl)ethoxy-tri(propan-2-yl)silane
SMILESC#CC1=CCCCC1CCO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C19H34OSi/c1-8-18-11-9-10-12-19(18)13-14-20-21(15(2)3,16(4)5)17(6)7/h1,11,15-17,19H,9-10,12-14H2,2-7H3
InChIKeyIZHLLQLXVXDOFZ-UHFFFAOYSA-N
XLogP5.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.57
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethynylcyclohex-2-en-1-yl)ethoxy-tri(propan-2-yl)silane?
The IUPAC name of 2-(2-ethynylcyclohex-2-en-1-yl)ethoxy-tri(propan-2-yl)silane (CID 91457213) is 2-(2-ethynylcyclohex-2-en-1-yl)ethoxy-tri(propan-2-yl)silane.
What is the SMILES notation for 2-(2-ethynylcyclohex-2-en-1-yl)ethoxy-tri(propan-2-yl)silane?
The canonical SMILES for 2-(2-ethynylcyclohex-2-en-1-yl)ethoxy-tri(propan-2-yl)silane is C#CC1=CCCCC1CCO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of 2-(2-ethynylcyclohex-2-en-1-yl)ethoxy-tri(propan-2-yl)silane?
The InChIKey is IZHLLQLXVXDOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34OSi/c1-8-18-11-9-10-12-19(18)13-14-20-21(15(2)3,16(4)5)17(6)7/h1,11,15-17,19H,9-10,12-14H2,2-7H3.
What are the key properties of 2-(2-ethynylcyclohex-2-en-1-yl)ethoxy-tri(propan-2-yl)silane?
2-(2-ethynylcyclohex-2-en-1-yl)ethoxy-tri(propan-2-yl)silane has a molecular weight of 306.57 g/mol, XLogP of 5.93, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethynylcyclohex-2-en-1-yl)ethoxy-tri(propan-2-yl)silane is sourced from PubChem (CID 91457213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).