trimethyl-[(4S)-2-pent-4-ynyl-4-propan-2-ylcyclohexen-1-yl]oxysilane

C17H30OSi — CID 10016413

IUPACtrimethyl-[(4S)-2-pent-4-ynyl-4-propan-2-ylcyclohexen-1-yl]oxysilane
SMILESC#CCCCC1=C(O[Si](C)(C)C)CC[C@H](C(C)C)C1
InChIInChI=1S/C17H30OSi/c1-7-8-9-10-16-13-15(14(2)3)11-12-17(16)18-19(4,5)6/h1,14-15H,8-13H2,2-6H3/t15-/m0/s1
InChIKeyFRBOBZWMZKAXQK-HNNXBMFYSA-N
MW278.51 g/mol
LogP5.35
Rot. Bonds6

About trimethyl-[(4S)-2-pent-4-ynyl-4-propan-2-ylcyclohexen-1-yl]oxysilane

trimethyl-[(4S)-2-pent-4-ynyl-4-propan-2-ylcyclohexen-1-yl]oxysilane (PubChem CID 10016413) has the molecular formula C17H30OSi and a molecular weight of 278.51 g/mol. Its IUPAC name is trimethyl-[(4S)-2-pent-4-ynyl-4-propan-2-ylcyclohexen-1-yl]oxysilane.

Molecular Properties

Compound Nametrimethyl-[(4S)-2-pent-4-ynyl-4-propan-2-ylcyclohexen-1-yl]oxysilane
PubChem CID10016413
Molecular FormulaC17H30OSi
Molecular Weight278.51 g/mol
Exact Mass278.21
IUPAC Nametrimethyl-[(4S)-2-pent-4-ynyl-4-propan-2-ylcyclohexen-1-yl]oxysilane
SMILESC#CCCCC1=C(O[Si](C)(C)C)CC[C@H](C(C)C)C1
InChIInChI=1S/C17H30OSi/c1-7-8-9-10-16-13-15(14(2)3)11-12-17(16)18-19(4,5)6/h1,14-15H,8-13H2,2-6H3/t15-/m0/s1
InChIKeyFRBOBZWMZKAXQK-HNNXBMFYSA-N
XLogP5.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.51
LogP ≤ 55.35
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': 'triple_bond', 'substructure': 'N/A'}

Analyze trimethyl-[(4S)-2-pent-4-ynyl-4-propan-2-ylcyclohexen-1-yl]oxysilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
[(4S)-2-but-3-ynyl-4-propan-2-ylcyclohexen-1-yl]oxy-trimethylsilane
CID 134857047
[(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 trimethyl-[(4S)-2-pent-4-ynyl-4-propan-2-ylcyclohexen-1-yl]oxysilane?
The IUPAC name of trimethyl-[(4S)-2-pent-4-ynyl-4-propan-2-ylcyclohexen-1-yl]oxysilane (CID 10016413) is trimethyl-[(4S)-2-pent-4-ynyl-4-propan-2-ylcyclohexen-1-yl]oxysilane.
What is the SMILES notation for trimethyl-[(4S)-2-pent-4-ynyl-4-propan-2-ylcyclohexen-1-yl]oxysilane?
The canonical SMILES for trimethyl-[(4S)-2-pent-4-ynyl-4-propan-2-ylcyclohexen-1-yl]oxysilane is C#CCCCC1=C(O[Si](C)(C)C)CC[C@H](C(C)C)C1.
What is the InChIKey of trimethyl-[(4S)-2-pent-4-ynyl-4-propan-2-ylcyclohexen-1-yl]oxysilane?
The InChIKey is FRBOBZWMZKAXQK-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H30OSi/c1-7-8-9-10-16-13-15(14(2)3)11-12-17(16)18-19(4,5)6/h1,14-15H,8-13H2,2-6H3/t15-/m0/s1.
What are the key properties of trimethyl-[(4S)-2-pent-4-ynyl-4-propan-2-ylcyclohexen-1-yl]oxysilane?
trimethyl-[(4S)-2-pent-4-ynyl-4-propan-2-ylcyclohexen-1-yl]oxysilane has a molecular weight of 278.51 g/mol, XLogP of 5.35, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(4S)-2-pent-4-ynyl-4-propan-2-ylcyclohexen-1-yl]oxysilane is sourced from PubChem (CID 10016413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).