[(1R,3S,4R)-3-dimethylsilyloxy-2,4-dimethyl-1-[(2R)-pent-3-yn-2-yl]hept-5-ynoxy]-dimethylsilane

C18H34O2Si2 — CID 134846317

IUPAC[(1R,3S,4R)-3-dimethylsilyloxy-2,4-dimethyl-1-[(2R)-pent-3-yn-2-yl]hept-5-ynoxy]-dimethylsilane
SMILESCC#C[C@@H](C)[C@H](O[SiH](C)C)C(C)[C@H](O[SiH](C)C)[C@H](C)C#CC
InChIInChI=1S/C18H34O2Si2/c1-10-12-14(3)17(19-21(6)7)16(5)18(20-22(8)9)15(4)13-11-2/h14-18,21-22H,1-9H3/t14-,15-,16?,17-,18+/m1/s1
InChIKeyNYJDKDDYWIFAHA-VUCRHFMTSA-N
MW338.64 g/mol
LogP3.68
Rot. Bonds8

About [(1R,3S,4R)-3-dimethylsilyloxy-2,4-dimethyl-1-[(2R)-pent-3-yn-2-yl]hept-5-ynoxy]-dimethylsilane

[(1R,3S,4R)-3-dimethylsilyloxy-2,4-dimethyl-1-[(2R)-pent-3-yn-2-yl]hept-5-ynoxy]-dimethylsilane (PubChem CID 134846317) has the molecular formula C18H34O2Si2 and a molecular weight of 338.64 g/mol. Its IUPAC name is [(1R,3S,4R)-3-dimethylsilyloxy-2,4-dimethyl-1-[(2R)-pent-3-yn-2-yl]hept-5-ynoxy]-dimethylsilane.

Molecular Properties

Compound Name[(1R,3S,4R)-3-dimethylsilyloxy-2,4-dimethyl-1-[(2R)-pent-3-yn-2-yl]hept-5-ynoxy]-dimethylsilane
PubChem CID134846317
Molecular FormulaC18H34O2Si2
Molecular Weight338.64 g/mol
Exact Mass338.21
IUPAC Name[(1R,3S,4R)-3-dimethylsilyloxy-2,4-dimethyl-1-[(2R)-pent-3-yn-2-yl]hept-5-ynoxy]-dimethylsilane
SMILESCC#C[C@@H](C)[C@H](O[SiH](C)C)C(C)[C@H](O[SiH](C)C)[C@H](C)C#CC
InChIInChI=1S/C18H34O2Si2/c1-10-12-14(3)17(19-21(6)7)16(5)18(20-22(8)9)15(4)13-11-2/h14-18,21-22H,1-9H3/t14-,15-,16?,17-,18+/m1/s1
InChIKeyNYJDKDDYWIFAHA-VUCRHFMTSA-N
XLogP3.68
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.64
LogP ≤ 53.68
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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Launch Full Analysis

Related Compounds

triethyl-[(3R,4R,6S,7R)-3,5,7-trimethyl-6-triethylsilyloxynona-1,8-diyn-4-yl]oxysilane
CID 11384680
[(1R,2S,3S,4R)-1-[(2S)-butan-2-yl]-2,4-dimethyl-3-trimethylsilyloxyhept-5-ynoxy]-tert-butyl-dimethylsilane
CID 25107594
CID 134969845
CID 134969845
triethyl-[(4R,5R,7S,8R)-4,6,8-trimethyl-7-triethylsilyloxyundeca-2,9-diyn-5-yl]oxysilane
CID 134977488
tert-butyl-dimethyl-[(2R,3S)-3-methyl-7-trimethylsilylhept-6-yn-2-yl]oxysilane
CID 135078090
Tert-butyl-[4-[tert-butyl(dimethyl)silyl]oxy-1-cyclopentylbut-2-ynoxy]-dimethylsilane
CID 14314328
tert-butyl-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-6-yn-2-yl]oxy-dimethylsilane
CID 56929866
tert-butyl-[(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-5-ynoxy]-dimethylsilane
CID 58139621
Tert-butyl-[4-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-6-yn-2-yl]oxy-dimethylsilane
CID 76461296
2,6-Dimethylheptan-3-yloxy(2,6-dimethylheptan-3-yloxysilylmethyl)silane
CID 123258867
tert-butyl-[(2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhept-6-ynoxy]-dimethylsilane
CID 10915999
[(1R,2S,3S,4R)-1-[(2R)-butan-2-yl]-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhept-5-ynoxy]-tri(propan-2-yl)silane
CID 11179171

Frequently Asked Questions

What is the IUPAC name of [(1R,3S,4R)-3-dimethylsilyloxy-2,4-dimethyl-1-[(2R)-pent-3-yn-2-yl]hept-5-ynoxy]-dimethylsilane?
The IUPAC name of [(1R,3S,4R)-3-dimethylsilyloxy-2,4-dimethyl-1-[(2R)-pent-3-yn-2-yl]hept-5-ynoxy]-dimethylsilane (CID 134846317) is [(1R,3S,4R)-3-dimethylsilyloxy-2,4-dimethyl-1-[(2R)-pent-3-yn-2-yl]hept-5-ynoxy]-dimethylsilane.
What is the SMILES notation for [(1R,3S,4R)-3-dimethylsilyloxy-2,4-dimethyl-1-[(2R)-pent-3-yn-2-yl]hept-5-ynoxy]-dimethylsilane?
The canonical SMILES for [(1R,3S,4R)-3-dimethylsilyloxy-2,4-dimethyl-1-[(2R)-pent-3-yn-2-yl]hept-5-ynoxy]-dimethylsilane is CC#C[C@@H](C)[C@H](O[SiH](C)C)C(C)[C@H](O[SiH](C)C)[C@H](C)C#CC.
What is the InChIKey of [(1R,3S,4R)-3-dimethylsilyloxy-2,4-dimethyl-1-[(2R)-pent-3-yn-2-yl]hept-5-ynoxy]-dimethylsilane?
The InChIKey is NYJDKDDYWIFAHA-VUCRHFMTSA-N. The full InChI is InChI=1S/C18H34O2Si2/c1-10-12-14(3)17(19-21(6)7)16(5)18(20-22(8)9)15(4)13-11-2/h14-18,21-22H,1-9H3/t14-,15-,16?,17-,18+/m1/s1.
What are the key properties of [(1R,3S,4R)-3-dimethylsilyloxy-2,4-dimethyl-1-[(2R)-pent-3-yn-2-yl]hept-5-ynoxy]-dimethylsilane?
[(1R,3S,4R)-3-dimethylsilyloxy-2,4-dimethyl-1-[(2R)-pent-3-yn-2-yl]hept-5-ynoxy]-dimethylsilane has a molecular weight of 338.64 g/mol, XLogP of 3.68, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S,4R)-3-dimethylsilyloxy-2,4-dimethyl-1-[(2R)-pent-3-yn-2-yl]hept-5-ynoxy]-dimethylsilane is sourced from PubChem (CID 134846317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).