triethyl-[(1S,2S,5R,6R,7S)-6-(methoxymethoxy)-2,5,7-trimethyl-3-trimethylsilyloxycyclohept-3-en-1-yl]oxysilane

C21H44O4Si2 — CID 10409693

IUPACtriethyl-[(1S,2S,5R,6R,7S)-6-(methoxymethoxy)-2,5,7-trimethyl-3-trimethylsilyloxycyclohept-3-en-1-yl]oxysilane
SMILESCC[Si](CC)(CC)O[C@H]1[C@@H](C)[C@H](OCOC)[C@H](C)C=C(O[Si](C)(C)C)[C@H]1C
InChIInChI=1S/C21H44O4Si2/c1-11-27(12-2,13-3)25-21-17(5)19(24-26(8,9)10)14-16(4)20(18(21)6)23-15-22-7/h14,16-18,20-21H,11-13,15H2,1-10H3/t16-,17-,18+,20-,21-/m1/s1
InChIKeyQVSGMGNARKFNEJ-BBPUYGCGSA-N
MW416.75 g/mol
LogP6.02
Rot. Bonds10

About triethyl-[(1S,2S,5R,6R,7S)-6-(methoxymethoxy)-2,5,7-trimethyl-3-trimethylsilyloxycyclohept-3-en-1-yl]oxysilane

triethyl-[(1S,2S,5R,6R,7S)-6-(methoxymethoxy)-2,5,7-trimethyl-3-trimethylsilyloxycyclohept-3-en-1-yl]oxysilane (PubChem CID 10409693) has the molecular formula C21H44O4Si2 and a molecular weight of 416.75 g/mol. Its IUPAC name is triethyl-[(1S,2S,5R,6R,7S)-6-(methoxymethoxy)-2,5,7-trimethyl-3-trimethylsilyloxycyclohept-3-en-1-yl]oxysilane.

Molecular Properties

Compound Nametriethyl-[(1S,2S,5R,6R,7S)-6-(methoxymethoxy)-2,5,7-trimethyl-3-trimethylsilyloxycyclohept-3-en-1-yl]oxysilane
PubChem CID10409693
Molecular FormulaC21H44O4Si2
Molecular Weight416.75 g/mol
Exact Mass416.28
IUPAC Nametriethyl-[(1S,2S,5R,6R,7S)-6-(methoxymethoxy)-2,5,7-trimethyl-3-trimethylsilyloxycyclohept-3-en-1-yl]oxysilane
SMILESCC[Si](CC)(CC)O[C@H]1[C@@H](C)[C@H](OCOC)[C@H](C)C=C(O[Si](C)(C)C)[C@H]1C
InChIInChI=1S/C21H44O4Si2/c1-11-27(12-2,13-3)25-21-17(5)19(24-26(8,9)10)14-16(4)20(18(21)6)23-15-22-7/h14,16-18,20-21H,11-13,15H2,1-10H3/t16-,17-,18+,20-,21-/m1/s1
InChIKeyQVSGMGNARKFNEJ-BBPUYGCGSA-N
XLogP6.02
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.75
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of triethyl-[(1S,2S,5R,6R,7S)-6-(methoxymethoxy)-2,5,7-trimethyl-3-trimethylsilyloxycyclohept-3-en-1-yl]oxysilane?
The IUPAC name of triethyl-[(1S,2S,5R,6R,7S)-6-(methoxymethoxy)-2,5,7-trimethyl-3-trimethylsilyloxycyclohept-3-en-1-yl]oxysilane (CID 10409693) is triethyl-[(1S,2S,5R,6R,7S)-6-(methoxymethoxy)-2,5,7-trimethyl-3-trimethylsilyloxycyclohept-3-en-1-yl]oxysilane.
What is the SMILES notation for triethyl-[(1S,2S,5R,6R,7S)-6-(methoxymethoxy)-2,5,7-trimethyl-3-trimethylsilyloxycyclohept-3-en-1-yl]oxysilane?
The canonical SMILES for triethyl-[(1S,2S,5R,6R,7S)-6-(methoxymethoxy)-2,5,7-trimethyl-3-trimethylsilyloxycyclohept-3-en-1-yl]oxysilane is CC[Si](CC)(CC)O[C@H]1[C@@H](C)[C@H](OCOC)[C@H](C)C=C(O[Si](C)(C)C)[C@H]1C.
What is the InChIKey of triethyl-[(1S,2S,5R,6R,7S)-6-(methoxymethoxy)-2,5,7-trimethyl-3-trimethylsilyloxycyclohept-3-en-1-yl]oxysilane?
The InChIKey is QVSGMGNARKFNEJ-BBPUYGCGSA-N. The full InChI is InChI=1S/C21H44O4Si2/c1-11-27(12-2,13-3)25-21-17(5)19(24-26(8,9)10)14-16(4)20(18(21)6)23-15-22-7/h14,16-18,20-21H,11-13,15H2,1-10H3/t16-,17-,18+,20-,21-/m1/s1.
What are the key properties of triethyl-[(1S,2S,5R,6R,7S)-6-(methoxymethoxy)-2,5,7-trimethyl-3-trimethylsilyloxycyclohept-3-en-1-yl]oxysilane?
triethyl-[(1S,2S,5R,6R,7S)-6-(methoxymethoxy)-2,5,7-trimethyl-3-trimethylsilyloxycyclohept-3-en-1-yl]oxysilane has a molecular weight of 416.75 g/mol, XLogP of 6.02, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[(1S,2S,5R,6R,7S)-6-(methoxymethoxy)-2,5,7-trimethyl-3-trimethylsilyloxycyclohept-3-en-1-yl]oxysilane is sourced from PubChem (CID 10409693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).