tert-butyl-[(Z)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-trimethylsilylhex-3-en-1,5-diynyl]-dimethylsilane

C20H34O2Si2 — CID 15605685

IUPACtert-butyl-[(Z)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-trimethylsilylhex-3-en-1,5-diynyl]-dimethylsilane
SMILESCC1(C)OC[C@@H](/C(C#C[Si](C)(C)C)=C\C#C[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C20H34O2Si2/c1-19(2,3)24(9,10)14-11-12-17(13-15-23(6,7)8)18-16-21-20(4,5)22-18/h12,18H,16H2,1-10H3/b17-12-/t18-/m0/s1
InChIKeyNTBCZHNPZRTOEM-FSEPTYSPSA-N
MW362.66 g/mol
LogP5.00
Rot. Bonds1

About tert-butyl-[(Z)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-trimethylsilylhex-3-en-1,5-diynyl]-dimethylsilane

tert-butyl-[(Z)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-trimethylsilylhex-3-en-1,5-diynyl]-dimethylsilane (PubChem CID 15605685) has the molecular formula C20H34O2Si2 and a molecular weight of 362.66 g/mol. Its IUPAC name is tert-butyl-[(Z)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-trimethylsilylhex-3-en-1,5-diynyl]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(Z)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-trimethylsilylhex-3-en-1,5-diynyl]-dimethylsilane
PubChem CID15605685
Molecular FormulaC20H34O2Si2
Molecular Weight362.66 g/mol
Exact Mass362.21
IUPAC Nametert-butyl-[(Z)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-trimethylsilylhex-3-en-1,5-diynyl]-dimethylsilane
SMILESCC1(C)OC[C@@H](/C(C#C[Si](C)(C)C)=C\C#C[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C20H34O2Si2/c1-19(2,3)24(9,10)14-11-12-17(13-15-23(6,7)8)18-16-21-20(4,5)22-18/h12,18H,16H2,1-10H3/b17-12-/t18-/m0/s1
InChIKeyNTBCZHNPZRTOEM-FSEPTYSPSA-N
XLogP5.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.66
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-1,3-dioxolane-4-carboxylic acid
CID 10909699
(1E,3Z)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)buta-1,3-diene-1,2,4-triamine
CID 167211718
methyl 2,2-dimethyl-(4,5-13C2)1,3-dioxolane-4-carboxylate
CID 169439042
2,2-dimethyl-1,3-dioxolane-4-carboxylic acid;hydrochloride
CID 69349368
(E)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-methylbut-2-enoic acid
CID 68635756
4-[tert-butyl(dimethyl)silyl]oxy-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]butan-1-one
CID 135039821
potassium;(4R)-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid;hydride
CID 173083628
(2S)-3-[tert-butyl(dimethyl)silyl]oxy-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropan-1-one
CID 11044870
[(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-trimethylsilylbut-3-ynyl] 2,2-dimethylpropanoate
CID 24786473
S-(1-acetamido-2-methylpropan-2-yl) 2,2-dimethyl-1,3-dioxolane-4-carbothioate
CID 129026287
(E)-3-(dimethylamino)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-en-1-one
CID 59177998
trimethyl(4-methylpent-3-en-1-ynyl)silane
CID 586141

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(Z)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-trimethylsilylhex-3-en-1,5-diynyl]-dimethylsilane?
The IUPAC name of tert-butyl-[(Z)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-trimethylsilylhex-3-en-1,5-diynyl]-dimethylsilane (CID 15605685) is tert-butyl-[(Z)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-trimethylsilylhex-3-en-1,5-diynyl]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(Z)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-trimethylsilylhex-3-en-1,5-diynyl]-dimethylsilane?
The canonical SMILES for tert-butyl-[(Z)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-trimethylsilylhex-3-en-1,5-diynyl]-dimethylsilane is CC1(C)OC[C@@H](/C(C#C[Si](C)(C)C)=C\C#C[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of tert-butyl-[(Z)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-trimethylsilylhex-3-en-1,5-diynyl]-dimethylsilane?
The InChIKey is NTBCZHNPZRTOEM-FSEPTYSPSA-N. The full InChI is InChI=1S/C20H34O2Si2/c1-19(2,3)24(9,10)14-11-12-17(13-15-23(6,7)8)18-16-21-20(4,5)22-18/h12,18H,16H2,1-10H3/b17-12-/t18-/m0/s1.
What are the key properties of tert-butyl-[(Z)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-trimethylsilylhex-3-en-1,5-diynyl]-dimethylsilane?
tert-butyl-[(Z)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-trimethylsilylhex-3-en-1,5-diynyl]-dimethylsilane has a molecular weight of 362.66 g/mol, XLogP of 5.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(Z)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-trimethylsilylhex-3-en-1,5-diynyl]-dimethylsilane is sourced from PubChem (CID 15605685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).