[(4S)-2-but-3-ynyl-4-propan-2-ylcyclohexen-1-yl]oxy-trimethylsilane

C16H28OSi — CID 134857047

IUPAC[(4S)-2-but-3-ynyl-4-propan-2-ylcyclohexen-1-yl]oxy-trimethylsilane
SMILESC#CCCC1=C(O[Si](C)(C)C)CC[C@H](C(C)C)C1
InChIInChI=1S/C16H28OSi/c1-7-8-9-15-12-14(13(2)3)10-11-16(15)17-18(4,5)6/h1,13-14H,8-12H2,2-6H3/t14-/m0/s1
InChIKeyRKTXFHACNBPISF-AWEZNQCLSA-N
MW264.48 g/mol
LogP4.96
Rot. Bonds5

About [(4S)-2-but-3-ynyl-4-propan-2-ylcyclohexen-1-yl]oxy-trimethylsilane

[(4S)-2-but-3-ynyl-4-propan-2-ylcyclohexen-1-yl]oxy-trimethylsilane (PubChem CID 134857047) has the molecular formula C16H28OSi and a molecular weight of 264.48 g/mol. Its IUPAC name is [(4S)-2-but-3-ynyl-4-propan-2-ylcyclohexen-1-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(4S)-2-but-3-ynyl-4-propan-2-ylcyclohexen-1-yl]oxy-trimethylsilane
PubChem CID134857047
Molecular FormulaC16H28OSi
Molecular Weight264.48 g/mol
Exact Mass264.19
IUPAC Name[(4S)-2-but-3-ynyl-4-propan-2-ylcyclohexen-1-yl]oxy-trimethylsilane
SMILESC#CCCC1=C(O[Si](C)(C)C)CC[C@H](C(C)C)C1
InChIInChI=1S/C16H28OSi/c1-7-8-9-15-12-14(13(2)3)10-11-16(15)17-18(4,5)6/h1,13-14H,8-12H2,2-6H3/t14-/m0/s1
InChIKeyRKTXFHACNBPISF-AWEZNQCLSA-N
XLogP4.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.48
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

trimethyl-[(4S)-2-pent-4-ynyl-4-propan-2-ylcyclohexen-1-yl]oxysilane
CID 10016413
Tert-butyl-(3-but-3-yn-2-ylcyclohexen-1-yl)oxy-dimethylsilane
CID 12079486
Trimethyl-[2-methyl-3-(4-trimethylsilylbut-3-ynyl)cyclohexen-1-yl]oxysilane
CID 14635035
[(3R,6S)-3-butyl-6-tert-butyl-2-methylcyclohexen-1-yl]oxy-trimethylsilane
CID 134922420
[(3S,6S)-3-butyl-6-tert-butyl-2-methylcyclohexen-1-yl]oxy-trimethylsilane
CID 134922499
Trimethyl-[2-methyl-4-(4-propylcyclohexyl)cyclohexen-1-yl]oxysilane
CID 140748249
tert-butyl-[(5R,6R)-6-deuterio-5-methyl-2-propan-2-ylcyclohexen-1-yl]oxy-dimethylsilane
CID 10516145
trimethyl-[(5R)-5-methyl-2-propan-2-ylcyclohexen-1-yl]oxysilane
CID 10900344
Trimethyl-(2-pent-4-ynyl-4-propan-2-ylcyclohexen-1-yl)oxysilane
CID 11022253
trimethyl-[(3S,4R)-2,3,4-trimethyl-3-(4-trimethylsilylbut-3-ynyl)cyclohexen-1-yl]oxysilane
CID 11110491
trimethyl-[(3R,6R)-2,3,6-trimethylcyclohexen-1-yl]oxysilane
CID 11148559
[(6S)-2,6-di(propan-2-yl)cyclohexen-1-yl]oxy-trimethylsilane
CID 11253835

Frequently Asked Questions

What is the IUPAC name of [(4S)-2-but-3-ynyl-4-propan-2-ylcyclohexen-1-yl]oxy-trimethylsilane?
The IUPAC name of [(4S)-2-but-3-ynyl-4-propan-2-ylcyclohexen-1-yl]oxy-trimethylsilane (CID 134857047) is [(4S)-2-but-3-ynyl-4-propan-2-ylcyclohexen-1-yl]oxy-trimethylsilane.
What is the SMILES notation for [(4S)-2-but-3-ynyl-4-propan-2-ylcyclohexen-1-yl]oxy-trimethylsilane?
The canonical SMILES for [(4S)-2-but-3-ynyl-4-propan-2-ylcyclohexen-1-yl]oxy-trimethylsilane is C#CCCC1=C(O[Si](C)(C)C)CC[C@H](C(C)C)C1.
What is the InChIKey of [(4S)-2-but-3-ynyl-4-propan-2-ylcyclohexen-1-yl]oxy-trimethylsilane?
The InChIKey is RKTXFHACNBPISF-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H28OSi/c1-7-8-9-15-12-14(13(2)3)10-11-16(15)17-18(4,5)6/h1,13-14H,8-12H2,2-6H3/t14-/m0/s1.
What are the key properties of [(4S)-2-but-3-ynyl-4-propan-2-ylcyclohexen-1-yl]oxy-trimethylsilane?
[(4S)-2-but-3-ynyl-4-propan-2-ylcyclohexen-1-yl]oxy-trimethylsilane has a molecular weight of 264.48 g/mol, XLogP of 4.96, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-2-but-3-ynyl-4-propan-2-ylcyclohexen-1-yl]oxy-trimethylsilane is sourced from PubChem (CID 134857047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).