(1-ethynylcyclohexyl)oxy-[[(1-ethynylcyclohexyl)oxy-methoxy-methylsilyl]methyl]-methoxy-methylsilane

C21H36O4Si2 — CID 176819383

IUPAC(1-ethynylcyclohexyl)oxy-[[(1-ethynylcyclohexyl)oxy-methoxy-methylsilyl]methyl]-methoxy-methylsilane
SMILESC#CC1(O[Si](C)(C[Si](C)(OC)OC2(C#C)CCCCC2)OC)CCCCC1
InChIInChI=1S/C21H36O4Si2/c1-7-20(15-11-9-12-16-20)24-26(5,22-3)19-27(6,23-4)25-21(8-2)17-13-10-14-18-21/h1-2H,9-19H2,3-6H3
InChIKeyBFSVDTGLDNGRAC-UHFFFAOYSA-N
MW408.69 g/mol
LogP4.67
Rot. Bonds8

About (1-ethynylcyclohexyl)oxy-[[(1-ethynylcyclohexyl)oxy-methoxy-methylsilyl]methyl]-methoxy-methylsilane

(1-ethynylcyclohexyl)oxy-[[(1-ethynylcyclohexyl)oxy-methoxy-methylsilyl]methyl]-methoxy-methylsilane (PubChem CID 176819383) has the molecular formula C21H36O4Si2 and a molecular weight of 408.69 g/mol. Its IUPAC name is (1-ethynylcyclohexyl)oxy-[[(1-ethynylcyclohexyl)oxy-methoxy-methylsilyl]methyl]-methoxy-methylsilane.

Molecular Properties

Compound Name(1-ethynylcyclohexyl)oxy-[[(1-ethynylcyclohexyl)oxy-methoxy-methylsilyl]methyl]-methoxy-methylsilane
PubChem CID176819383
Molecular FormulaC21H36O4Si2
Molecular Weight408.69 g/mol
Exact Mass408.22
IUPAC Name(1-ethynylcyclohexyl)oxy-[[(1-ethynylcyclohexyl)oxy-methoxy-methylsilyl]methyl]-methoxy-methylsilane
SMILESC#CC1(O[Si](C)(C[Si](C)(OC)OC2(C#C)CCCCC2)OC)CCCCC1
InChIInChI=1S/C21H36O4Si2/c1-7-20(15-11-9-12-16-20)24-26(5,22-3)19-27(6,23-4)25-21(8-2)17-13-10-14-18-21/h1-2H,9-19H2,3-6H3
InChIKeyBFSVDTGLDNGRAC-UHFFFAOYSA-N
XLogP4.67
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.69
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 (1-ethynylcyclohexyl)oxy-[[(1-ethynylcyclohexyl)oxy-methoxy-methylsilyl]methyl]-methoxy-methylsilane?
The IUPAC name of (1-ethynylcyclohexyl)oxy-[[(1-ethynylcyclohexyl)oxy-methoxy-methylsilyl]methyl]-methoxy-methylsilane (CID 176819383) is (1-ethynylcyclohexyl)oxy-[[(1-ethynylcyclohexyl)oxy-methoxy-methylsilyl]methyl]-methoxy-methylsilane.
What is the SMILES notation for (1-ethynylcyclohexyl)oxy-[[(1-ethynylcyclohexyl)oxy-methoxy-methylsilyl]methyl]-methoxy-methylsilane?
The canonical SMILES for (1-ethynylcyclohexyl)oxy-[[(1-ethynylcyclohexyl)oxy-methoxy-methylsilyl]methyl]-methoxy-methylsilane is C#CC1(O[Si](C)(C[Si](C)(OC)OC2(C#C)CCCCC2)OC)CCCCC1.
What is the InChIKey of (1-ethynylcyclohexyl)oxy-[[(1-ethynylcyclohexyl)oxy-methoxy-methylsilyl]methyl]-methoxy-methylsilane?
The InChIKey is BFSVDTGLDNGRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36O4Si2/c1-7-20(15-11-9-12-16-20)24-26(5,22-3)19-27(6,23-4)25-21(8-2)17-13-10-14-18-21/h1-2H,9-19H2,3-6H3.
What are the key properties of (1-ethynylcyclohexyl)oxy-[[(1-ethynylcyclohexyl)oxy-methoxy-methylsilyl]methyl]-methoxy-methylsilane?
(1-ethynylcyclohexyl)oxy-[[(1-ethynylcyclohexyl)oxy-methoxy-methylsilyl]methyl]-methoxy-methylsilane has a molecular weight of 408.69 g/mol, XLogP of 4.67, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethynylcyclohexyl)oxy-[[(1-ethynylcyclohexyl)oxy-methoxy-methylsilyl]methyl]-methoxy-methylsilane is sourced from PubChem (CID 176819383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).