[(3S)-3-but-3-enyl-3-methylcyclopenten-1-yl]oxy-triethylsilane

C16H30OSi — CID 102478998

IUPAC[(3S)-3-but-3-enyl-3-methylcyclopenten-1-yl]oxy-triethylsilane
SMILESC=CCC[C@]1(C)C=C(O[Si](CC)(CC)CC)CC1
InChIInChI=1S/C16H30OSi/c1-6-10-12-16(5)13-11-15(14-16)17-18(7-2,8-3)9-4/h6,14H,1,7-13H2,2-5H3/t16-/m0/s1
InChIKeyHJPHSWUXBCJQON-INIZCTEOSA-N
MW266.50 g/mol
LogP5.66
Rot. Bonds8

About [(3S)-3-but-3-enyl-3-methylcyclopenten-1-yl]oxy-triethylsilane

[(3S)-3-but-3-enyl-3-methylcyclopenten-1-yl]oxy-triethylsilane (PubChem CID 102478998) has the molecular formula C16H30OSi and a molecular weight of 266.50 g/mol. Its IUPAC name is [(3S)-3-but-3-enyl-3-methylcyclopenten-1-yl]oxy-triethylsilane.

Molecular Properties

Compound Name[(3S)-3-but-3-enyl-3-methylcyclopenten-1-yl]oxy-triethylsilane
PubChem CID102478998
Molecular FormulaC16H30OSi
Molecular Weight266.50 g/mol
Exact Mass266.21
IUPAC Name[(3S)-3-but-3-enyl-3-methylcyclopenten-1-yl]oxy-triethylsilane
SMILESC=CCC[C@]1(C)C=C(O[Si](CC)(CC)CC)CC1
InChIInChI=1S/C16H30OSi/c1-6-10-12-16(5)13-11-15(14-16)17-18(7-2,8-3)9-4/h6,14H,1,7-13H2,2-5H3/t16-/m0/s1
InChIKeyHJPHSWUXBCJQON-INIZCTEOSA-N
XLogP5.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.50
LogP ≤ 55.66
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'}

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Related Compounds

(3-But-3-enylcyclopenten-1-yl)oxy-trimethylsilane
CID 10375839
[3-[2-(Cyclohexen-1-yl)ethyl]-3-methylcyclopenten-1-yl]oxy-trimethylsilane
CID 21593729
1-Cyclohexene, 4,4-dimethyl-1-[(trimethylsilyl)oxy]-
CID 581527
trimethyl-[(3R,4R)-3-methyl-3-[2-[(1S)-1-methylcyclohex-2-en-1-yl]ethyl]-4-propan-2-ylcyclopenten-1-yl]oxysilane
CID 11984323
Trimethyl-(3-methyl-3-propylcyclohexen-1-yl)oxysilane
CID 13683352
(3-Ethenyl-3,5,5-trimethylcyclohexen-1-yl)oxy-trimethylsilane
CID 13683354
Tert-butyl-dimethyl-(3-prop-2-enylcyclohexen-1-yl)oxysilane
CID 15691232
tert-butyl-[(4S,6S)-5,5-dimethyl-4,6-bis(3-methylbut-2-enyl)cyclohexen-1-yl]oxy-dimethylsilane
CID 16732642
(r)-((3-(But-3-en-1-yl)-3-methylcyclopent-1-en-1-yl)oxy)triethylsilane
CID 25112423
Tert-butyl-dimethyl-(3-prop-2-enylcyclohepten-1-yl)oxysilane
CID 101155880
Tert-butyl-(4,4-dimethylcyclohexen-1-yl)oxy-dimethylsilane
CID 101201261
((3-(Tert-butyl)cyclohex-1-en-1-yl)oxy)triethylsilane
CID 101998066

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-but-3-enyl-3-methylcyclopenten-1-yl]oxy-triethylsilane?
The IUPAC name of [(3S)-3-but-3-enyl-3-methylcyclopenten-1-yl]oxy-triethylsilane (CID 102478998) is [(3S)-3-but-3-enyl-3-methylcyclopenten-1-yl]oxy-triethylsilane.
What is the SMILES notation for [(3S)-3-but-3-enyl-3-methylcyclopenten-1-yl]oxy-triethylsilane?
The canonical SMILES for [(3S)-3-but-3-enyl-3-methylcyclopenten-1-yl]oxy-triethylsilane is C=CCC[C@]1(C)C=C(O[Si](CC)(CC)CC)CC1.
What is the InChIKey of [(3S)-3-but-3-enyl-3-methylcyclopenten-1-yl]oxy-triethylsilane?
The InChIKey is HJPHSWUXBCJQON-INIZCTEOSA-N. The full InChI is InChI=1S/C16H30OSi/c1-6-10-12-16(5)13-11-15(14-16)17-18(7-2,8-3)9-4/h6,14H,1,7-13H2,2-5H3/t16-/m0/s1.
What are the key properties of [(3S)-3-but-3-enyl-3-methylcyclopenten-1-yl]oxy-triethylsilane?
[(3S)-3-but-3-enyl-3-methylcyclopenten-1-yl]oxy-triethylsilane has a molecular weight of 266.50 g/mol, XLogP of 5.66, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-but-3-enyl-3-methylcyclopenten-1-yl]oxy-triethylsilane is sourced from PubChem (CID 102478998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).