hex-1-ynyl-(2-methylhex-5-en-3-yloxy)-di(propan-2-yl)silane

C19H36OSi — CID 135073752

IUPAChex-1-ynyl-(2-methylhex-5-en-3-yloxy)-di(propan-2-yl)silane
SMILESC=CCC(O[Si](C#CCCCC)(C(C)C)C(C)C)C(C)C
InChIInChI=1S/C19H36OSi/c1-9-11-12-13-15-21(17(5)6,18(7)8)20-19(14-10-2)16(3)4/h10,16-19H,2,9,11-12,14H2,1,3-8H3
InChIKeyUPIGCDKJQDYMLF-UHFFFAOYSA-N
MW308.58 g/mol
LogP6.10
Rot. Bonds9

About hex-1-ynyl-(2-methylhex-5-en-3-yloxy)-di(propan-2-yl)silane

hex-1-ynyl-(2-methylhex-5-en-3-yloxy)-di(propan-2-yl)silane (PubChem CID 135073752) has the molecular formula C19H36OSi and a molecular weight of 308.58 g/mol. Its IUPAC name is hex-1-ynyl-(2-methylhex-5-en-3-yloxy)-di(propan-2-yl)silane.

Molecular Properties

Compound Namehex-1-ynyl-(2-methylhex-5-en-3-yloxy)-di(propan-2-yl)silane
PubChem CID135073752
Molecular FormulaC19H36OSi
Molecular Weight308.58 g/mol
Exact Mass308.25
IUPAC Namehex-1-ynyl-(2-methylhex-5-en-3-yloxy)-di(propan-2-yl)silane
SMILESC=CCC(O[Si](C#CCCCC)(C(C)C)C(C)C)C(C)C
InChIInChI=1S/C19H36OSi/c1-9-11-12-13-15-21(17(5)6,18(7)8)20-19(14-10-2)16(3)4/h10,16-19H,2,9,11-12,14H2,1,3-8H3
InChIKeyUPIGCDKJQDYMLF-UHFFFAOYSA-N
XLogP6.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.58
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-dimethyl-(1-trimethylsilylhept-6-en-1-yn-3-yloxy)silane
CID 11173984
tert-butyl-dimethyl-[(4S,5S)-3,3,5-trimethyloct-1-en-6-yn-4-yl]oxysilane
CID 24179532
tert-butyl-dimethyl-[(3R,4R)-4-methylhex-5-en-3-yl]oxysilane
CID 25228317
tert-butyl-dimethyl-[(1R,2S)-2-(2-trimethylsilylethynyl)cyclopent-3-en-1-yl]oxysilane
CID 56850984
[(3R,4S)-2,4-dimethylhex-5-en-3-yl]oxy-bis(prop-2-enyl)silane
CID 101079064
tert-butyl-[(3S,4R)-2,4-dimethyloct-7-en-5-yn-3-yl]oxy-dimethylsilane
CID 101168213
tert-butyl-dimethyl-[(1R,2S)-2-(2-trimethylsilylethynyl)cyclohex-3-en-1-yl]oxysilane
CID 101546873
tert-butyl-dimethyl-[(Z,1R,2S)-2-methyl-1-[(2S)-pent-3-yn-2-yl]-4-trimethylsilylpent-3-enoxy]silane
CID 134836408
tert-butyl-dimethyl-[(4S)-4-[2-tri(propan-2-yl)silylethynyl]hex-5-enoxy]silane
CID 134966558
tert-butyl-dimethyl-[(3S,4R)-4-methyl-1-trimethylsilylhept-6-en-1-yn-3-yl]oxysilane
CID 135042365
bis[(Z)-but-2-enyl]-[(3R)-2,4-dimethylhex-5-en-3-yl]oxysilane
CID 135076235
Tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxy-7-trimethylgermylhept-1-en-6-yn-4-yl]-dimethylsilane
CID 135077532

Frequently Asked Questions

What is the IUPAC name of hex-1-ynyl-(2-methylhex-5-en-3-yloxy)-di(propan-2-yl)silane?
The IUPAC name of hex-1-ynyl-(2-methylhex-5-en-3-yloxy)-di(propan-2-yl)silane (CID 135073752) is hex-1-ynyl-(2-methylhex-5-en-3-yloxy)-di(propan-2-yl)silane.
What is the SMILES notation for hex-1-ynyl-(2-methylhex-5-en-3-yloxy)-di(propan-2-yl)silane?
The canonical SMILES for hex-1-ynyl-(2-methylhex-5-en-3-yloxy)-di(propan-2-yl)silane is C=CCC(O[Si](C#CCCCC)(C(C)C)C(C)C)C(C)C.
What is the InChIKey of hex-1-ynyl-(2-methylhex-5-en-3-yloxy)-di(propan-2-yl)silane?
The InChIKey is UPIGCDKJQDYMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36OSi/c1-9-11-12-13-15-21(17(5)6,18(7)8)20-19(14-10-2)16(3)4/h10,16-19H,2,9,11-12,14H2,1,3-8H3.
What are the key properties of hex-1-ynyl-(2-methylhex-5-en-3-yloxy)-di(propan-2-yl)silane?
hex-1-ynyl-(2-methylhex-5-en-3-yloxy)-di(propan-2-yl)silane has a molecular weight of 308.58 g/mol, XLogP of 6.10, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hex-1-ynyl-(2-methylhex-5-en-3-yloxy)-di(propan-2-yl)silane is sourced from PubChem (CID 135073752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).