[(3S,4R,5E)-2,3-dimethylocta-1,5-dien-7-yn-4-yl]oxy-tri(propan-2-yl)silane

C19H34OSi — CID 11771207

IUPAC[(3S,4R,5E)-2,3-dimethylocta-1,5-dien-7-yn-4-yl]oxy-tri(propan-2-yl)silane
SMILESC#C/C=C/[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](C)C(=C)C
InChIInChI=1S/C19H34OSi/c1-11-12-13-19(18(10)14(2)3)20-21(15(4)5,16(6)7)17(8)9/h1,12-13,15-19H,2H2,3-10H3/b13-12+/t18-,19+/m0/s1
InChIKeyLAMVBXWYTZYHBI-UBJZUDALSA-N
MW306.57 g/mol
LogP5.95
Rot. Bonds8

About [(3S,4R,5E)-2,3-dimethylocta-1,5-dien-7-yn-4-yl]oxy-tri(propan-2-yl)silane

[(3S,4R,5E)-2,3-dimethylocta-1,5-dien-7-yn-4-yl]oxy-tri(propan-2-yl)silane (PubChem CID 11771207) has the molecular formula C19H34OSi and a molecular weight of 306.57 g/mol. Its IUPAC name is [(3S,4R,5E)-2,3-dimethylocta-1,5-dien-7-yn-4-yl]oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(3S,4R,5E)-2,3-dimethylocta-1,5-dien-7-yn-4-yl]oxy-tri(propan-2-yl)silane
PubChem CID11771207
Molecular FormulaC19H34OSi
Molecular Weight306.57 g/mol
Exact Mass306.24
IUPAC Name[(3S,4R,5E)-2,3-dimethylocta-1,5-dien-7-yn-4-yl]oxy-tri(propan-2-yl)silane
SMILESC#C/C=C/[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](C)C(=C)C
InChIInChI=1S/C19H34OSi/c1-11-12-13-19(18(10)14(2)3)20-21(15(4)5,16(6)7)17(8)9/h1,12-13,15-19H,2H2,3-10H3/b13-12+/t18-,19+/m0/s1
InChIKeyLAMVBXWYTZYHBI-UBJZUDALSA-N
XLogP5.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.57
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[(3S,4S,5E,8R)-3,6-dimethyl-8-triethylsilyloxyundeca-1,5-dien-4-yl]oxy-dimethylsilane
CID 11430610
tert-butyl-dimethyl-[(E,5S)-4,4,7-trimethylundec-6-en-1,10-diyn-5-yl]oxysilane
CID 24755646
tert-butyl-[(3Z,5S,7Z)-deca-3,7-dien-1-yn-5-yl]oxy-dimethylsilane
CID 53359090
tert-butyl-dimethyl-[(3Z,5S,7Z,10Z)-trideca-3,7,10-trien-1-yn-5-yl]oxysilane
CID 122386867
tri(propan-2-yl)-[(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-1-yn-4-yl]oxysilane
CID 134875143
tert-butyl-dimethyl-[(3R,4S,5E)-2,4,7-trimethylocta-1,5-dien-3-yl]oxysilane
CID 134896222
tert-butyl-[(2S,3R)-3-ethynyl-6-methylhept-5-en-2-yl]oxy-dimethylsilane
CID 134967775
triethyl-[(2E)-1-(3-methyl-2-methylidenebutyl)-3-triethylsilylhexa-2,5-dienoxy]silane
CID 135020840
triethyl-[(2E)-1-(2-methylprop-2-enyl)-3-triethylsilylhexa-2,5-dienoxy]silane
CID 135020841
tert-butyl-dimethyl-[(3E)-4-propan-2-ylhepta-3,6-dien-2-yl]oxysilane
CID 135044084
tert-butyl-dimethyl-[(2R,3E)-4-propan-2-ylhepta-3,6-dien-2-yl]oxysilane
CID 135044157
tert-butyl-dimethyl-[(E)-2-methylnon-4-en-3-yl]oxysilane
CID 135072169

Frequently Asked Questions

What is the IUPAC name of [(3S,4R,5E)-2,3-dimethylocta-1,5-dien-7-yn-4-yl]oxy-tri(propan-2-yl)silane?
The IUPAC name of [(3S,4R,5E)-2,3-dimethylocta-1,5-dien-7-yn-4-yl]oxy-tri(propan-2-yl)silane (CID 11771207) is [(3S,4R,5E)-2,3-dimethylocta-1,5-dien-7-yn-4-yl]oxy-tri(propan-2-yl)silane.
What is the SMILES notation for [(3S,4R,5E)-2,3-dimethylocta-1,5-dien-7-yn-4-yl]oxy-tri(propan-2-yl)silane?
The canonical SMILES for [(3S,4R,5E)-2,3-dimethylocta-1,5-dien-7-yn-4-yl]oxy-tri(propan-2-yl)silane is C#C/C=C/[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](C)C(=C)C.
What is the InChIKey of [(3S,4R,5E)-2,3-dimethylocta-1,5-dien-7-yn-4-yl]oxy-tri(propan-2-yl)silane?
The InChIKey is LAMVBXWYTZYHBI-UBJZUDALSA-N. The full InChI is InChI=1S/C19H34OSi/c1-11-12-13-19(18(10)14(2)3)20-21(15(4)5,16(6)7)17(8)9/h1,12-13,15-19H,2H2,3-10H3/b13-12+/t18-,19+/m0/s1.
What are the key properties of [(3S,4R,5E)-2,3-dimethylocta-1,5-dien-7-yn-4-yl]oxy-tri(propan-2-yl)silane?
[(3S,4R,5E)-2,3-dimethylocta-1,5-dien-7-yn-4-yl]oxy-tri(propan-2-yl)silane has a molecular weight of 306.57 g/mol, XLogP of 5.95, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4R,5E)-2,3-dimethylocta-1,5-dien-7-yn-4-yl]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 11771207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).