tert-butyl-dimethyl-[(E,2R)-6-methyl-8-[(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]oct-5-en-2-yl]oxysilane

C22H44O3Si — CID 132551502

IUPACtert-butyl-dimethyl-[(E,2R)-6-methyl-8-[(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]oct-5-en-2-yl]oxysilane
SMILESC/C(=C\CC[C@@H](C)O[Si](C)(C)C(C)(C)C)CC[C@@H]1OC(C)(C)OC1(C)C
InChIInChI=1S/C22H44O3Si/c1-17(15-16-19-21(6,7)25-22(8,9)23-19)13-12-14-18(2)24-26(10,11)20(3,4)5/h13,18-19H,12,14-16H2,1-11H3/b17-13+/t18-,19+/m1/s1
InChIKeyDECMZQLJDVDKFP-XRYNCONFSA-N
MW384.68 g/mol
LogP6.83
Rot. Bonds8

About tert-butyl-dimethyl-[(E,2R)-6-methyl-8-[(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]oct-5-en-2-yl]oxysilane

tert-butyl-dimethyl-[(E,2R)-6-methyl-8-[(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]oct-5-en-2-yl]oxysilane (PubChem CID 132551502) has the molecular formula C22H44O3Si and a molecular weight of 384.68 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(E,2R)-6-methyl-8-[(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]oct-5-en-2-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(E,2R)-6-methyl-8-[(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]oct-5-en-2-yl]oxysilane
PubChem CID132551502
Molecular FormulaC22H44O3Si
Molecular Weight384.68 g/mol
Exact Mass384.31
IUPAC Nametert-butyl-dimethyl-[(E,2R)-6-methyl-8-[(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]oct-5-en-2-yl]oxysilane
SMILESC/C(=C\CC[C@@H](C)O[Si](C)(C)C(C)(C)C)CC[C@@H]1OC(C)(C)OC1(C)C
InChIInChI=1S/C22H44O3Si/c1-17(15-16-19-21(6,7)25-22(8,9)23-19)13-12-14-18(2)24-26(10,11)20(3,4)5/h13,18-19H,12,14-16H2,1-11H3/b17-13+/t18-,19+/m1/s1
InChIKeyDECMZQLJDVDKFP-XRYNCONFSA-N
XLogP6.83
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.68
LogP ≤ 56.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl-dimethyl-[(E,2R)-6-methyl-8-[(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]oct-5-en-2-yl]oxysilane with MolForge

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Launch Full Analysis

Related Compounds

2-[10-(3,3-Dimethyloxiran-2-yl)-4,8-dimethyldeca-3,7-dienyl]-2-methyl-1,3-dioxolane
CID 72829604
tert-butyl(((2E,6E)-9-((S)-3,3-dimethyloxiran-2-yl)-1-(1,3-dioxolan-2-yl)-7-methylnona-2,6-dien-3-yl)oxy)dimethylsilane
CID 127054613
(5R)-2,2,4,4-tetramethyl-5-[(3Z,7E)-3-methylnona-3,7-dienyl]-1,3-dioxolane
CID 134901353
2-[(2E,6E)-9-(3,3-dimethyloxiran-2-yl)-3,7-dimethylnona-2,6-dienyl]-2-methyl-1,3-dioxolane
CID 134971317
(5R)-5-[(3E,7Z,11E,15E)-8-fluoro-3,7,12,16,20-pentamethylhenicosa-3,7,11,15,19-pentaenyl]-2,2,4,4-tetramethyl-1,3-dioxolane
CID 101937820
(Z)-6-[(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]-4-(trimethylsilylmethyl)hex-3-en-1-ol
CID 11130844
tert-butyl-[(2E,6E)-10-(1,3-dioxolan-2-yl)-3,7,11-trimethyldodeca-2,6-dienoxy]-dimethylsilane
CID 14657946
tert-butyl-[(Z,2S,3R,6R)-6-[(4R,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]-3-methylhept-4-en-2-yl]oxy-dimethylsilane
CID 58160460
tert-butyl-[(Z,2S,3R)-6-[(4R,5S)-2,2-dimethyl-5-propyl-1,3-dioxolan-4-yl]-3-methylhept-4-en-2-yl]oxy-dimethylsilane
CID 58304891
tert-butyl-[(Z,2S,3R)-6-[(4R,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]-3-methylhept-4-en-2-yl]oxy-dimethylsilane
CID 58305089
tert-butyl-[(Z,3R,6R)-6-[(4R,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]-3-methylhept-4-en-2-yl]oxy-dimethylsilane
CID 58453148
2-[(E)-8-methoxy-4,8-dimethylnon-3-enyl]-2-methyl-1,3-dioxolane
CID 70638284

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(E,2R)-6-methyl-8-[(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]oct-5-en-2-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(E,2R)-6-methyl-8-[(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]oct-5-en-2-yl]oxysilane (CID 132551502) is tert-butyl-dimethyl-[(E,2R)-6-methyl-8-[(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]oct-5-en-2-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(E,2R)-6-methyl-8-[(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]oct-5-en-2-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(E,2R)-6-methyl-8-[(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]oct-5-en-2-yl]oxysilane is C/C(=C\CC[C@@H](C)O[Si](C)(C)C(C)(C)C)CC[C@@H]1OC(C)(C)OC1(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(E,2R)-6-methyl-8-[(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]oct-5-en-2-yl]oxysilane?
The InChIKey is DECMZQLJDVDKFP-XRYNCONFSA-N. The full InChI is InChI=1S/C22H44O3Si/c1-17(15-16-19-21(6,7)25-22(8,9)23-19)13-12-14-18(2)24-26(10,11)20(3,4)5/h13,18-19H,12,14-16H2,1-11H3/b17-13+/t18-,19+/m1/s1.
What are the key properties of tert-butyl-dimethyl-[(E,2R)-6-methyl-8-[(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]oct-5-en-2-yl]oxysilane?
tert-butyl-dimethyl-[(E,2R)-6-methyl-8-[(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]oct-5-en-2-yl]oxysilane has a molecular weight of 384.68 g/mol, XLogP of 6.83, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(E,2R)-6-methyl-8-[(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]oct-5-en-2-yl]oxysilane is sourced from PubChem (CID 132551502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).