[(1R,2R,3R)-1,3-bis(ethenyl)-2-prop-2-enylcyclohexyl]oxy-tert-butyl-dimethylsilane

C19H34OSi — CID 10590805

IUPAC[(1R,2R,3R)-1,3-bis(ethenyl)-2-prop-2-enylcyclohexyl]oxy-tert-butyl-dimethylsilane
SMILESC=CC[C@@H]1[C@@H](C=C)CCC[C@]1(C=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H34OSi/c1-9-13-17-16(10-2)14-12-15-19(17,11-3)20-21(7,8)18(4,5)6/h9-11,16-17H,1-3,12-15H2,4-8H3/t16-,17+,19-/m0/s1
InChIKeyJGCQTPWGMNKTKE-SCTDSRPQSA-N
MW306.57 g/mol
LogP6.11
Rot. Bonds6

About [(1R,2R,3R)-1,3-bis(ethenyl)-2-prop-2-enylcyclohexyl]oxy-tert-butyl-dimethylsilane

[(1R,2R,3R)-1,3-bis(ethenyl)-2-prop-2-enylcyclohexyl]oxy-tert-butyl-dimethylsilane (PubChem CID 10590805) has the molecular formula C19H34OSi and a molecular weight of 306.57 g/mol. Its IUPAC name is [(1R,2R,3R)-1,3-bis(ethenyl)-2-prop-2-enylcyclohexyl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(1R,2R,3R)-1,3-bis(ethenyl)-2-prop-2-enylcyclohexyl]oxy-tert-butyl-dimethylsilane
PubChem CID10590805
Molecular FormulaC19H34OSi
Molecular Weight306.57 g/mol
Exact Mass306.24
IUPAC Name[(1R,2R,3R)-1,3-bis(ethenyl)-2-prop-2-enylcyclohexyl]oxy-tert-butyl-dimethylsilane
SMILESC=CC[C@@H]1[C@@H](C=C)CCC[C@]1(C=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H34OSi/c1-9-13-17-16(10-2)14-12-15-19(17,11-3)20-21(7,8)18(4,5)6/h9-11,16-17H,1-3,12-15H2,4-8H3/t16-,17+,19-/m0/s1
InChIKeyJGCQTPWGMNKTKE-SCTDSRPQSA-N
XLogP6.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.57
LogP ≤ 56.11
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

[(1S,4aR,5R,8aR)-5-[tert-butyl(dimethyl)silyl]oxy-5-ethenyl-2,3,4,4a,6,7,8,8a-octahydro-1H-naphthalen-1-yl]methanol
CID 10853466
trans-(2S,6R)-2-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-6-prop-2-enylcyclohexan-1-one
CID 102011598
tert-butyl-dimethyl-(1-prop-2-enylcyclobutyl)oxysilane
CID 66844818
2-[(1R,2S)-2-ethenyl-2-triethylsilyloxycyclopentyl]acetaldehyde
CID 10858505
tert-butyl-dimethyl-[[(2R,5R)-5-prop-2-enyloxolan-2-yl]methoxy]silane
CID 71665104
(3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2,2-dimethylcyclohexan-1-ol
CID 101333022
tert-butyl-dimethyl-[[(1S,2R,6R)-2-methyl-7-oxabicyclo[4.1.0]heptan-2-yl]oxy]silane
CID 88548685
tert-butyl-dimethyl-[[(1R,2R,6R)-2-methyl-7-oxabicyclo[4.1.0]heptan-2-yl]oxy]silane
CID 86667431
(1-but-3-enylcyclopent-3-en-1-yl)oxy-tert-butyl-dimethylsilane
CID 11470770
tert-butyl-[(4-ethenyl-4-methoxycyclohexyl)methoxy]-dimethylsilane
CID 123320294
(R)-N-[(1R,2S,3S)-2-butyl-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenylcyclohexyl]-2-methylpropane-2-sulfinamide
CID 134845804
tert-butyl-[(1S,2R)-2-ethenyl-1-[1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrol-3-yl]cyclopentyl]oxy-dimethylsilane
CID 101270903

Frequently Asked Questions

What is the IUPAC name of [(1R,2R,3R)-1,3-bis(ethenyl)-2-prop-2-enylcyclohexyl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(1R,2R,3R)-1,3-bis(ethenyl)-2-prop-2-enylcyclohexyl]oxy-tert-butyl-dimethylsilane (CID 10590805) is [(1R,2R,3R)-1,3-bis(ethenyl)-2-prop-2-enylcyclohexyl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(1R,2R,3R)-1,3-bis(ethenyl)-2-prop-2-enylcyclohexyl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(1R,2R,3R)-1,3-bis(ethenyl)-2-prop-2-enylcyclohexyl]oxy-tert-butyl-dimethylsilane is C=CC[C@@H]1[C@@H](C=C)CCC[C@]1(C=C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(1R,2R,3R)-1,3-bis(ethenyl)-2-prop-2-enylcyclohexyl]oxy-tert-butyl-dimethylsilane?
The InChIKey is JGCQTPWGMNKTKE-SCTDSRPQSA-N. The full InChI is InChI=1S/C19H34OSi/c1-9-13-17-16(10-2)14-12-15-19(17,11-3)20-21(7,8)18(4,5)6/h9-11,16-17H,1-3,12-15H2,4-8H3/t16-,17+,19-/m0/s1.
What are the key properties of [(1R,2R,3R)-1,3-bis(ethenyl)-2-prop-2-enylcyclohexyl]oxy-tert-butyl-dimethylsilane?
[(1R,2R,3R)-1,3-bis(ethenyl)-2-prop-2-enylcyclohexyl]oxy-tert-butyl-dimethylsilane has a molecular weight of 306.57 g/mol, XLogP of 6.11, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R,3R)-1,3-bis(ethenyl)-2-prop-2-enylcyclohexyl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 10590805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).