tri(propan-2-yl)-[(1R,2S)-2-prop-1-en-2-ylcyclohexyl]oxysilane

C18H36OSi — CID 101186824

IUPACtri(propan-2-yl)-[(1R,2S)-2-prop-1-en-2-ylcyclohexyl]oxysilane
SMILESC=C(C)[C@@H]1CCCC[C@H]1O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C18H36OSi/c1-13(2)17-11-9-10-12-18(17)19-20(14(3)4,15(5)6)16(7)8/h14-18H,1,9-12H2,2-8H3/t17-,18+/m0/s1
InChIKeyDHHVYFUNPDTJSB-ZWKOTPCHSA-N
MW296.57 g/mol
LogP6.31
Rot. Bonds6

About tri(propan-2-yl)-[(1R,2S)-2-prop-1-en-2-ylcyclohexyl]oxysilane

tri(propan-2-yl)-[(1R,2S)-2-prop-1-en-2-ylcyclohexyl]oxysilane (PubChem CID 101186824) has the molecular formula C18H36OSi and a molecular weight of 296.57 g/mol. Its IUPAC name is tri(propan-2-yl)-[(1R,2S)-2-prop-1-en-2-ylcyclohexyl]oxysilane.

Molecular Properties

Compound Nametri(propan-2-yl)-[(1R,2S)-2-prop-1-en-2-ylcyclohexyl]oxysilane
PubChem CID101186824
Molecular FormulaC18H36OSi
Molecular Weight296.57 g/mol
Exact Mass296.25
IUPAC Nametri(propan-2-yl)-[(1R,2S)-2-prop-1-en-2-ylcyclohexyl]oxysilane
SMILESC=C(C)[C@@H]1CCCC[C@H]1O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C18H36OSi/c1-13(2)17-11-9-10-12-18(17)19-20(14(3)4,15(5)6)16(7)8/h14-18H,1,9-12H2,2-8H3/t17-,18+/m0/s1
InChIKeyDHHVYFUNPDTJSB-ZWKOTPCHSA-N
XLogP6.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.57
LogP ≤ 56.31
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

(Z)-4-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexyl-3-(trimethylsilylmethyl)but-3-en-1-ol
CID 11291668
Isopulegol, [1R-(1alpha,2beta,5alpha)]-, TMS derivative
CID 588570
Tert-butyl-(1-cyclohexylprop-2-enoxy)-dimethylsilane
CID 11253834
tert-butyl-dimethyl-[(1S,2R,5R)-2-methyl-5-prop-1-en-2-ylcyclohexyl]oxysilane
CID 11021914
cis-(1S,2R)-2-[2-(trimethylsilylmethyl)prop-2-enyl]cyclohexan-1-ol
CID 15263617
(1-Cyclohexyl-2-methylidenedodecoxy)-trimethylsilane
CID 44518239
(E)-4-[tert-butyl(dimethyl)silyl]-1-cyclohexyl-3-methylbut-3-en-1-ol
CID 101097233
[(E,1S)-1-cyclohexyl-2-ethylpent-2-enoxy]-triethylsilane
CID 102515909
[(E)-3-cyclohexyl-3-trimethylsilyloxyprop-1-enyl]-tri(propan-2-yl)silane
CID 134883124
tert-butyl-[(3R,4S)-4-ethenyl-2-methyloctan-3-yl]oxy-dimethylsilane
CID 134980552
[(1S)-1-cyclohexyl-2-methylideneoctoxy]-triethylsilane
CID 135000775
trans-(1R,2R)-2-[(E)-1,3-bis(trimethylsilyl)prop-2-enyl]cyclohexan-1-olate
CID 135010036

Frequently Asked Questions

What is the IUPAC name of tri(propan-2-yl)-[(1R,2S)-2-prop-1-en-2-ylcyclohexyl]oxysilane?
The IUPAC name of tri(propan-2-yl)-[(1R,2S)-2-prop-1-en-2-ylcyclohexyl]oxysilane (CID 101186824) is tri(propan-2-yl)-[(1R,2S)-2-prop-1-en-2-ylcyclohexyl]oxysilane.
What is the SMILES notation for tri(propan-2-yl)-[(1R,2S)-2-prop-1-en-2-ylcyclohexyl]oxysilane?
The canonical SMILES for tri(propan-2-yl)-[(1R,2S)-2-prop-1-en-2-ylcyclohexyl]oxysilane is C=C(C)[C@@H]1CCCC[C@H]1O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of tri(propan-2-yl)-[(1R,2S)-2-prop-1-en-2-ylcyclohexyl]oxysilane?
The InChIKey is DHHVYFUNPDTJSB-ZWKOTPCHSA-N. The full InChI is InChI=1S/C18H36OSi/c1-13(2)17-11-9-10-12-18(17)19-20(14(3)4,15(5)6)16(7)8/h14-18H,1,9-12H2,2-8H3/t17-,18+/m0/s1.
What are the key properties of tri(propan-2-yl)-[(1R,2S)-2-prop-1-en-2-ylcyclohexyl]oxysilane?
tri(propan-2-yl)-[(1R,2S)-2-prop-1-en-2-ylcyclohexyl]oxysilane has a molecular weight of 296.57 g/mol, XLogP of 6.31, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tri(propan-2-yl)-[(1R,2S)-2-prop-1-en-2-ylcyclohexyl]oxysilane is sourced from PubChem (CID 101186824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).