tert-butyl-[2-[(1S,3R,4R)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]ethoxy]-dimethylsilane

C20H38OSi — CID 10519906

IUPACtert-butyl-[2-[(1S,3R,4R)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]ethoxy]-dimethylsilane
SMILESC=C[C@@]1(C)CC[C@H](CCO[Si](C)(C)C(C)(C)C)C[C@@H]1C(=C)C
InChIInChI=1S/C20H38OSi/c1-10-20(7)13-11-17(15-18(20)16(2)3)12-14-21-22(8,9)19(4,5)6/h10,17-18H,1-2,11-15H2,3-9H3/t17-,18-,20+/m1/s1
InChIKeyJANHCTVXZLSOFA-GGPKGHCWSA-N
MW322.61 g/mol
LogP6.58
Rot. Bonds6

About tert-butyl-[2-[(1S,3R,4R)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]ethoxy]-dimethylsilane

tert-butyl-[2-[(1S,3R,4R)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]ethoxy]-dimethylsilane (PubChem CID 10519906) has the molecular formula C20H38OSi and a molecular weight of 322.61 g/mol. Its IUPAC name is tert-butyl-[2-[(1S,3R,4R)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]ethoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[2-[(1S,3R,4R)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]ethoxy]-dimethylsilane
PubChem CID10519906
Molecular FormulaC20H38OSi
Molecular Weight322.61 g/mol
Exact Mass322.27
IUPAC Nametert-butyl-[2-[(1S,3R,4R)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]ethoxy]-dimethylsilane
SMILESC=C[C@@]1(C)CC[C@H](CCO[Si](C)(C)C(C)(C)C)C[C@@H]1C(=C)C
InChIInChI=1S/C20H38OSi/c1-10-20(7)13-11-17(15-18(20)16(2)3)12-14-21-22(8,9)19(4,5)6/h10,17-18H,1-2,11-15H2,3-9H3/t17-,18-,20+/m1/s1
InChIKeyJANHCTVXZLSOFA-GGPKGHCWSA-N
XLogP6.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.61
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 tert-butyl-[2-[(1S,3R,4R)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]ethoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[2-[(1S,3R,4R)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]ethoxy]-dimethylsilane (CID 10519906) is tert-butyl-[2-[(1S,3R,4R)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]ethoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[2-[(1S,3R,4R)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]ethoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[2-[(1S,3R,4R)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]ethoxy]-dimethylsilane is C=C[C@@]1(C)CC[C@H](CCO[Si](C)(C)C(C)(C)C)C[C@@H]1C(=C)C.
What is the InChIKey of tert-butyl-[2-[(1S,3R,4R)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]ethoxy]-dimethylsilane?
The InChIKey is JANHCTVXZLSOFA-GGPKGHCWSA-N. The full InChI is InChI=1S/C20H38OSi/c1-10-20(7)13-11-17(15-18(20)16(2)3)12-14-21-22(8,9)19(4,5)6/h10,17-18H,1-2,11-15H2,3-9H3/t17-,18-,20+/m1/s1.
What are the key properties of tert-butyl-[2-[(1S,3R,4R)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]ethoxy]-dimethylsilane?
tert-butyl-[2-[(1S,3R,4R)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]ethoxy]-dimethylsilane has a molecular weight of 322.61 g/mol, XLogP of 6.58, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-[(1S,3R,4R)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]ethoxy]-dimethylsilane is sourced from PubChem (CID 10519906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).