[6-[2-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]ethyl]cyclohexen-1-yl]oxy-trimethylsilane

C18H34O3Si — CID 10806078

IUPAC[6-[2-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]ethyl]cyclohexen-1-yl]oxy-trimethylsilane
SMILESCCC1(CC)OC[C@H](CCC2CCCC=C2O[Si](C)(C)C)O1
InChIInChI=1S/C18H34O3Si/c1-6-18(7-2)19-14-16(20-18)13-12-15-10-8-9-11-17(15)21-22(3,4)5/h11,15-16H,6-10,12-14H2,1-5H3/t15?,16-/m0/s1
InChIKeyJSZWUWMVUCITTB-LYKKTTPLSA-N
MW326.55 g/mol
LogP5.23
Rot. Bonds7

About [6-[2-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]ethyl]cyclohexen-1-yl]oxy-trimethylsilane

[6-[2-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]ethyl]cyclohexen-1-yl]oxy-trimethylsilane (PubChem CID 10806078) has the molecular formula C18H34O3Si and a molecular weight of 326.55 g/mol. Its IUPAC name is [6-[2-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]ethyl]cyclohexen-1-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[6-[2-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]ethyl]cyclohexen-1-yl]oxy-trimethylsilane
PubChem CID10806078
Molecular FormulaC18H34O3Si
Molecular Weight326.55 g/mol
Exact Mass326.23
IUPAC Name[6-[2-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]ethyl]cyclohexen-1-yl]oxy-trimethylsilane
SMILESCCC1(CC)OC[C@H](CCC2CCCC=C2O[Si](C)(C)C)O1
InChIInChI=1S/C18H34O3Si/c1-6-18(7-2)19-14-16(20-18)13-12-15-10-8-9-11-17(15)21-22(3,4)5/h11,15-16H,6-10,12-14H2,1-5H3/t15?,16-/m0/s1
InChIKeyJSZWUWMVUCITTB-LYKKTTPLSA-N
XLogP5.23
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.55
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

[(2S)-4-[2-[(2R)-hex-5-en-2-yl]-1,3-dioxolan-2-yl]-2-methylbutoxy]-tri(propan-2-yl)silane
CID 11304093
[(3R,5R)-3-[2-(1,3-dioxolan-2-yl)ethyl]-5-methyl-2-prop-2-enylcyclohexen-1-yl]oxy-trimethylsilane
CID 45113084
Trimethyl-[4-methyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclohexen-1-yl]oxysilane
CID 74955942
tert-butyl-[(2R)-2,6-dimethyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]hept-5-enoxy]-dimethylsilane
CID 134936781
trimethyl({(4S)-4-methyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1-cyclopenten-1-yl}oxy)silane
CID 117070585
trimethyl-[(3R,4S)-4-methyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclopenten-1-yl]oxysilane
CID 10731812
tert-butyl-dimethyl-[(4S,5S)-5-methyl-7-(2-methyl-1,3-dioxolan-2-yl)hept-1-en-4-yl]oxysilane
CID 10947446
[(4R,4'aS,5R,8'aR)-4,4'a,5-trimethylspiro[1,3-dioxolane-2,5'-1,4,6,7,8,8a-hexahydronaphthalene]-2'-yl]oxy-trimethylsilane
CID 11001886
tert-butyl-[(E)-4-[(5S,6R)-2,2-dimethyl-8-triethylsilyloxy-1,3-dioxaspiro[4.5]dec-7-en-6-yl]pent-3-enoxy]-dimethylsilane
CID 11113798
tert-butyl-[[(4R,5R)-5-[(E,2S,4R)-4,6-dimethyloct-6-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
CID 11269140
[(4R,4'aR,5R,8'aS)-4,4'a,5-trimethylspiro[1,3-dioxolane-2,5'-1,4,6,7,8,8a-hexahydronaphthalene]-2'-yl]oxy-trimethylsilane
CID 11336305
[(3R,5R)-3-[2-(1,3-dioxolan-2-yl)ethyl]-5-methylcyclohexen-1-yl]oxy-trimethylsilane
CID 11346651

Frequently Asked Questions

What is the IUPAC name of [6-[2-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]ethyl]cyclohexen-1-yl]oxy-trimethylsilane?
The IUPAC name of [6-[2-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]ethyl]cyclohexen-1-yl]oxy-trimethylsilane (CID 10806078) is [6-[2-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]ethyl]cyclohexen-1-yl]oxy-trimethylsilane.
What is the SMILES notation for [6-[2-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]ethyl]cyclohexen-1-yl]oxy-trimethylsilane?
The canonical SMILES for [6-[2-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]ethyl]cyclohexen-1-yl]oxy-trimethylsilane is CCC1(CC)OC[C@H](CCC2CCCC=C2O[Si](C)(C)C)O1.
What is the InChIKey of [6-[2-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]ethyl]cyclohexen-1-yl]oxy-trimethylsilane?
The InChIKey is JSZWUWMVUCITTB-LYKKTTPLSA-N. The full InChI is InChI=1S/C18H34O3Si/c1-6-18(7-2)19-14-16(20-18)13-12-15-10-8-9-11-17(15)21-22(3,4)5/h11,15-16H,6-10,12-14H2,1-5H3/t15?,16-/m0/s1.
What are the key properties of [6-[2-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]ethyl]cyclohexen-1-yl]oxy-trimethylsilane?
[6-[2-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]ethyl]cyclohexen-1-yl]oxy-trimethylsilane has a molecular weight of 326.55 g/mol, XLogP of 5.23, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[2-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]ethyl]cyclohexen-1-yl]oxy-trimethylsilane is sourced from PubChem (CID 10806078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).