tert-butyl-dimethyl-[(3S,4S)-4-methyl-1-(2-methyl-1,3-dioxolan-2-yl)hept-6-yn-3-yl]oxysilane

C18H34O3Si — CID 154718744

IUPACtert-butyl-dimethyl-[(3S,4S)-4-methyl-1-(2-methyl-1,3-dioxolan-2-yl)hept-6-yn-3-yl]oxysilane
SMILESC#CC[C@H](C)[C@H](CCC1(C)OCCO1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H34O3Si/c1-9-10-15(2)16(21-22(7,8)17(3,4)5)11-12-18(6)19-13-14-20-18/h1,15-16H,10-14H2,2-8H3/t15-,16-/m0/s1
InChIKeyLBLOFBFVRFCLGJ-HOTGVXAUSA-N
MW326.55 g/mol
LogP4.58
Rot. Bonds7

About tert-butyl-dimethyl-[(3S,4S)-4-methyl-1-(2-methyl-1,3-dioxolan-2-yl)hept-6-yn-3-yl]oxysilane

tert-butyl-dimethyl-[(3S,4S)-4-methyl-1-(2-methyl-1,3-dioxolan-2-yl)hept-6-yn-3-yl]oxysilane (PubChem CID 154718744) has the molecular formula C18H34O3Si and a molecular weight of 326.55 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(3S,4S)-4-methyl-1-(2-methyl-1,3-dioxolan-2-yl)hept-6-yn-3-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(3S,4S)-4-methyl-1-(2-methyl-1,3-dioxolan-2-yl)hept-6-yn-3-yl]oxysilane
PubChem CID154718744
Molecular FormulaC18H34O3Si
Molecular Weight326.55 g/mol
Exact Mass326.23
IUPAC Nametert-butyl-dimethyl-[(3S,4S)-4-methyl-1-(2-methyl-1,3-dioxolan-2-yl)hept-6-yn-3-yl]oxysilane
SMILESC#CC[C@H](C)[C@H](CCC1(C)OCCO1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H34O3Si/c1-9-10-15(2)16(21-22(7,8)17(3,4)5)11-12-18(6)19-13-14-20-18/h1,15-16H,10-14H2,2-8H3/t15-,16-/m0/s1
InChIKeyLBLOFBFVRFCLGJ-HOTGVXAUSA-N
XLogP4.58
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.55
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(3S,4S)-4-methyl-1-(2-methyl-1,3-dioxolan-2-yl)hept-6-yn-3-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(3S,4S)-4-methyl-1-(2-methyl-1,3-dioxolan-2-yl)hept-6-yn-3-yl]oxysilane (CID 154718744) is tert-butyl-dimethyl-[(3S,4S)-4-methyl-1-(2-methyl-1,3-dioxolan-2-yl)hept-6-yn-3-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(3S,4S)-4-methyl-1-(2-methyl-1,3-dioxolan-2-yl)hept-6-yn-3-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(3S,4S)-4-methyl-1-(2-methyl-1,3-dioxolan-2-yl)hept-6-yn-3-yl]oxysilane is C#CC[C@H](C)[C@H](CCC1(C)OCCO1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(3S,4S)-4-methyl-1-(2-methyl-1,3-dioxolan-2-yl)hept-6-yn-3-yl]oxysilane?
The InChIKey is LBLOFBFVRFCLGJ-HOTGVXAUSA-N. The full InChI is InChI=1S/C18H34O3Si/c1-9-10-15(2)16(21-22(7,8)17(3,4)5)11-12-18(6)19-13-14-20-18/h1,15-16H,10-14H2,2-8H3/t15-,16-/m0/s1.
What are the key properties of tert-butyl-dimethyl-[(3S,4S)-4-methyl-1-(2-methyl-1,3-dioxolan-2-yl)hept-6-yn-3-yl]oxysilane?
tert-butyl-dimethyl-[(3S,4S)-4-methyl-1-(2-methyl-1,3-dioxolan-2-yl)hept-6-yn-3-yl]oxysilane has a molecular weight of 326.55 g/mol, XLogP of 4.58, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(3S,4S)-4-methyl-1-(2-methyl-1,3-dioxolan-2-yl)hept-6-yn-3-yl]oxysilane is sourced from PubChem (CID 154718744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).