tert-butyl-[(5S)-1-methoxytrideca-2,3-dien-7-yn-5-yl]oxy-dimethylsilane

C20H36O2Si — CID 15459009

IUPACtert-butyl-[(5S)-1-methoxytrideca-2,3-dien-7-yn-5-yl]oxy-dimethylsilane
SMILESCCCCCC#CC[C@@H](C=C=CCOC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H36O2Si/c1-8-9-10-11-12-13-16-19(17-14-15-18-21-5)22-23(6,7)20(2,3)4/h15,17,19H,8-11,16,18H2,1-7H3/t14?,19-/m0/s1
InChIKeyCUIAULCVCKNPIO-PKDNWHCCSA-N
MW336.59 g/mol
LogP5.71
Rot. Bonds9

About tert-butyl-[(5S)-1-methoxytrideca-2,3-dien-7-yn-5-yl]oxy-dimethylsilane

tert-butyl-[(5S)-1-methoxytrideca-2,3-dien-7-yn-5-yl]oxy-dimethylsilane (PubChem CID 15459009) has the molecular formula C20H36O2Si and a molecular weight of 336.59 g/mol. Its IUPAC name is tert-butyl-[(5S)-1-methoxytrideca-2,3-dien-7-yn-5-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(5S)-1-methoxytrideca-2,3-dien-7-yn-5-yl]oxy-dimethylsilane
PubChem CID15459009
Molecular FormulaC20H36O2Si
Molecular Weight336.59 g/mol
Exact Mass336.25
IUPAC Nametert-butyl-[(5S)-1-methoxytrideca-2,3-dien-7-yn-5-yl]oxy-dimethylsilane
SMILESCCCCCC#CC[C@@H](C=C=CCOC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H36O2Si/c1-8-9-10-11-12-13-16-19(17-14-15-18-21-5)22-23(6,7)20(2,3)4/h15,17,19H,8-11,16,18H2,1-7H3/t14?,19-/m0/s1
InChIKeyCUIAULCVCKNPIO-PKDNWHCCSA-N
XLogP5.71
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.59
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[(10S)-henicos-7-yn-10-yl]oxy-dimethylsilane
CID 156597203
methyl (11R,12E,14Z)-11-[tert-butyl(dimethyl)silyl]oxyicosa-12,14-dien-5,8-diynoate
CID 134976599
tert-butyl-dimethyl-[(E)-undec-3-en-5-yn-2-yl]oxysilane
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(2R)-1-[tert-butyl(dimethyl)silyl]oxynonadec-4-yn-2-ol;hexadec-1-yne
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tert-butyl-[(11R)-henicosa-6,9-diyn-11-yl]oxy-dimethylsilane
CID 71377830
(2S)-2-[tert-butyl(dimethyl)silyl]oxyheptanal
CID 10490533
2-[tert-butyl(dimethyl)silyl]oxytridecanal
CID 170917454
2-[tert-butyl(dimethyl)silyl]oxy-5-trimethylsilylpent-4-ynal
CID 58461604
tert-butyl-dimethyl-[(5S)-1-trimethylsilyldec-1-yn-5-yl]oxysilane
CID 72549741
[(5R)-20-bromoicosa-6,15-diyn-5-yl]oxy-tert-butyl-dimethylsilane
CID 87979821
tert-butyl-(1-iodooct-1-en-3-yloxy)-dimethylsilane
CID 53400857
tert-butyl-[(4S)-dec-5-yn-4-yl]oxy-dimethylsilane
CID 154722512

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(5S)-1-methoxytrideca-2,3-dien-7-yn-5-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(5S)-1-methoxytrideca-2,3-dien-7-yn-5-yl]oxy-dimethylsilane (CID 15459009) is tert-butyl-[(5S)-1-methoxytrideca-2,3-dien-7-yn-5-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(5S)-1-methoxytrideca-2,3-dien-7-yn-5-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(5S)-1-methoxytrideca-2,3-dien-7-yn-5-yl]oxy-dimethylsilane is CCCCCC#CC[C@@H](C=C=CCOC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(5S)-1-methoxytrideca-2,3-dien-7-yn-5-yl]oxy-dimethylsilane?
The InChIKey is CUIAULCVCKNPIO-PKDNWHCCSA-N. The full InChI is InChI=1S/C20H36O2Si/c1-8-9-10-11-12-13-16-19(17-14-15-18-21-5)22-23(6,7)20(2,3)4/h15,17,19H,8-11,16,18H2,1-7H3/t14?,19-/m0/s1.
What are the key properties of tert-butyl-[(5S)-1-methoxytrideca-2,3-dien-7-yn-5-yl]oxy-dimethylsilane?
tert-butyl-[(5S)-1-methoxytrideca-2,3-dien-7-yn-5-yl]oxy-dimethylsilane has a molecular weight of 336.59 g/mol, XLogP of 5.71, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(5S)-1-methoxytrideca-2,3-dien-7-yn-5-yl]oxy-dimethylsilane is sourced from PubChem (CID 15459009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).