[(3S,5R)-3-buta-2,3-dien-2-yl-2-methyl-5-prop-1-en-2-ylcyclohexen-1-yl]oxy-tert-butyl-dimethylsilane

C20H34OSi — CID 11244074

IUPAC[(3S,5R)-3-buta-2,3-dien-2-yl-2-methyl-5-prop-1-en-2-ylcyclohexen-1-yl]oxy-tert-butyl-dimethylsilane
SMILESC=C=C(C)[C@@H]1C[C@@H](C(=C)C)CC(O[Si](C)(C)C(C)(C)C)=C1C
InChIInChI=1S/C20H34OSi/c1-11-15(4)18-12-17(14(2)3)13-19(16(18)5)21-22(9,10)20(6,7)8/h17-18H,1-2,12-13H2,3-10H3/t17-,18+/m1/s1
InChIKeyLRPQEBHVYUQBEX-MSOLQXFVSA-N
MW318.58 g/mol
LogP6.62
Rot. Bonds4

About [(3S,5R)-3-buta-2,3-dien-2-yl-2-methyl-5-prop-1-en-2-ylcyclohexen-1-yl]oxy-tert-butyl-dimethylsilane

[(3S,5R)-3-buta-2,3-dien-2-yl-2-methyl-5-prop-1-en-2-ylcyclohexen-1-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 11244074) has the molecular formula C20H34OSi and a molecular weight of 318.58 g/mol. Its IUPAC name is [(3S,5R)-3-buta-2,3-dien-2-yl-2-methyl-5-prop-1-en-2-ylcyclohexen-1-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(3S,5R)-3-buta-2,3-dien-2-yl-2-methyl-5-prop-1-en-2-ylcyclohexen-1-yl]oxy-tert-butyl-dimethylsilane
PubChem CID11244074
Molecular FormulaC20H34OSi
Molecular Weight318.58 g/mol
Exact Mass318.24
IUPAC Name[(3S,5R)-3-buta-2,3-dien-2-yl-2-methyl-5-prop-1-en-2-ylcyclohexen-1-yl]oxy-tert-butyl-dimethylsilane
SMILESC=C=C(C)[C@@H]1C[C@@H](C(=C)C)CC(O[Si](C)(C)C(C)(C)C)=C1C
InChIInChI=1S/C20H34OSi/c1-11-15(4)18-12-17(14(2)3)13-19(16(18)5)21-22(9,10)20(6,7)8/h17-18H,1-2,12-13H2,3-10H3/t17-,18+/m1/s1
InChIKeyLRPQEBHVYUQBEX-MSOLQXFVSA-N
XLogP6.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.58
LogP ≤ 56.62
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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Related Compounds

(3-Ethylcyclohexen-1-yl)oxy-trimethylsilane
CID 597987
Trimethyl-[3-(3-methylbut-3-enyl)cyclohexen-1-yl]oxysilane
CID 10490148
Trimethyl-[3-(4-methylpent-3-enyl)cyclohexen-1-yl]oxysilane
CID 10658496
(3-But-3-enylcyclohexen-1-yl)oxy-trimethylsilane
CID 11042390
[(3S)-3-ethylcyclohexen-1-yl]oxy-trimethylsilane
CID 11229389
4-Tert-butyl-1-cyclohexen-1-yl tert-butyl(dimethyl)silyl ether
CID 12439600
tert-butyl-[4-[(1R)-cyclohex-2-en-1-yl]-2-methylbutan-2-yl]oxy-dimethylsilane
CID 162400600
[(Z)-1-cyclohexylprop-1-enoxy]-trimethylsilane
CID 11042082
Tert-butyl-dimethyl-(3-methylcyclohexen-1-yl)oxysilane
CID 11042446
Silane, [(2-methyl-1-cyclohexen-1-yl)oxy]tris(1-methylethyl)-
CID 11076456
trimethyl-[(3R,5R)-5-methyl-3-[(E)-4-tri(propan-2-yl)silyloxybut-2-en-2-yl]cyclohexen-1-yl]oxysilane
CID 11774244
[(E)-1-cyclohexylprop-1-enoxy]-trimethylsilane
CID 12546070

Frequently Asked Questions

What is the IUPAC name of [(3S,5R)-3-buta-2,3-dien-2-yl-2-methyl-5-prop-1-en-2-ylcyclohexen-1-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(3S,5R)-3-buta-2,3-dien-2-yl-2-methyl-5-prop-1-en-2-ylcyclohexen-1-yl]oxy-tert-butyl-dimethylsilane (CID 11244074) is [(3S,5R)-3-buta-2,3-dien-2-yl-2-methyl-5-prop-1-en-2-ylcyclohexen-1-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(3S,5R)-3-buta-2,3-dien-2-yl-2-methyl-5-prop-1-en-2-ylcyclohexen-1-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(3S,5R)-3-buta-2,3-dien-2-yl-2-methyl-5-prop-1-en-2-ylcyclohexen-1-yl]oxy-tert-butyl-dimethylsilane is C=C=C(C)[C@@H]1C[C@@H](C(=C)C)CC(O[Si](C)(C)C(C)(C)C)=C1C.
What is the InChIKey of [(3S,5R)-3-buta-2,3-dien-2-yl-2-methyl-5-prop-1-en-2-ylcyclohexen-1-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is LRPQEBHVYUQBEX-MSOLQXFVSA-N. The full InChI is InChI=1S/C20H34OSi/c1-11-15(4)18-12-17(14(2)3)13-19(16(18)5)21-22(9,10)20(6,7)8/h17-18H,1-2,12-13H2,3-10H3/t17-,18+/m1/s1.
What are the key properties of [(3S,5R)-3-buta-2,3-dien-2-yl-2-methyl-5-prop-1-en-2-ylcyclohexen-1-yl]oxy-tert-butyl-dimethylsilane?
[(3S,5R)-3-buta-2,3-dien-2-yl-2-methyl-5-prop-1-en-2-ylcyclohexen-1-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 318.58 g/mol, XLogP of 6.62, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,5R)-3-buta-2,3-dien-2-yl-2-methyl-5-prop-1-en-2-ylcyclohexen-1-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 11244074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).