(6S)-6-[(E)-but-2-en-2-yl]-2,2,5-trimethyl-3,6-dihydrooxasiline

C11H20OSi — CID 11651317

IUPAC(6S)-6-[(E)-but-2-en-2-yl]-2,2,5-trimethyl-3,6-dihydrooxasiline
SMILESC/C=C(\C)[C@@H]1O[Si](C)(C)CC=C1C
InChIInChI=1S/C11H20OSi/c1-6-9(2)11-10(3)7-8-13(4,5)12-11/h6-7,11H,8H2,1-5H3/b9-6+/t11-/m0/s1
InChIKeyOOOMJVOVSWRMFV-LAHYYIKRSA-N
MW196.37 g/mol
LogP3.50
Rot. Bonds1

About (6S)-6-[(E)-but-2-en-2-yl]-2,2,5-trimethyl-3,6-dihydrooxasiline

(6S)-6-[(E)-but-2-en-2-yl]-2,2,5-trimethyl-3,6-dihydrooxasiline (PubChem CID 11651317) has the molecular formula C11H20OSi and a molecular weight of 196.37 g/mol. Its IUPAC name is (6S)-6-[(E)-but-2-en-2-yl]-2,2,5-trimethyl-3,6-dihydrooxasiline.

Molecular Properties

Compound Name(6S)-6-[(E)-but-2-en-2-yl]-2,2,5-trimethyl-3,6-dihydrooxasiline
PubChem CID11651317
Molecular FormulaC11H20OSi
Molecular Weight196.37 g/mol
Exact Mass196.13
IUPAC Name(6S)-6-[(E)-but-2-en-2-yl]-2,2,5-trimethyl-3,6-dihydrooxasiline
SMILESC/C=C(\C)[C@@H]1O[Si](C)(C)CC=C1C
InChIInChI=1S/C11H20OSi/c1-6-9(2)11-10(3)7-8-13(4,5)12-11/h6-7,11H,8H2,1-5H3/b9-6+/t11-/m0/s1
InChIKeyOOOMJVOVSWRMFV-LAHYYIKRSA-N
XLogP3.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.37
LogP ≤ 53.50
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

Geraniol, tert-butyldimethylsilyl ether
CID 6536899
Geraniol, TMS derivative
CID 10998725
Nerol, trimethylsilyl ether
CID 11817006
cis-2-Hexen-1-ol, tert-butyldimethylsilyl ether
CID 91697283
(2-Cyclopenten-1-yloxy)(triisopropyl)silane
CID 10977584
Farnesol, tert-butyldimethylsilyl ether
CID 10337114
tert-butyl-[(E)-hex-2-enoxy]-dimethylsilane
CID 10987644
Tert-butyl-cyclopent-2-en-1-yloxy-dimethylsilane
CID 9815574
2,4-Dimethylpenta-1,4-dien-3-yloxy-dimethyl-prop-2-enylsilane
CID 10889176
tert-Butyl(cyclohex-2-enyloxy)dimethylsilane
CID 11085130
Ctk0J4668
CID 11106001
[(2E,5E)-3,5-dimethylhepta-2,5-dien-4-yl]oxy-dimethyl-prop-2-enylsilane
CID 11543224

Frequently Asked Questions

What is the IUPAC name of (6S)-6-[(E)-but-2-en-2-yl]-2,2,5-trimethyl-3,6-dihydrooxasiline?
The IUPAC name of (6S)-6-[(E)-but-2-en-2-yl]-2,2,5-trimethyl-3,6-dihydrooxasiline (CID 11651317) is (6S)-6-[(E)-but-2-en-2-yl]-2,2,5-trimethyl-3,6-dihydrooxasiline.
What is the SMILES notation for (6S)-6-[(E)-but-2-en-2-yl]-2,2,5-trimethyl-3,6-dihydrooxasiline?
The canonical SMILES for (6S)-6-[(E)-but-2-en-2-yl]-2,2,5-trimethyl-3,6-dihydrooxasiline is C/C=C(\C)[C@@H]1O[Si](C)(C)CC=C1C.
What is the InChIKey of (6S)-6-[(E)-but-2-en-2-yl]-2,2,5-trimethyl-3,6-dihydrooxasiline?
The InChIKey is OOOMJVOVSWRMFV-LAHYYIKRSA-N. The full InChI is InChI=1S/C11H20OSi/c1-6-9(2)11-10(3)7-8-13(4,5)12-11/h6-7,11H,8H2,1-5H3/b9-6+/t11-/m0/s1.
What are the key properties of (6S)-6-[(E)-but-2-en-2-yl]-2,2,5-trimethyl-3,6-dihydrooxasiline?
(6S)-6-[(E)-but-2-en-2-yl]-2,2,5-trimethyl-3,6-dihydrooxasiline has a molecular weight of 196.37 g/mol, XLogP of 3.50, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-[(E)-but-2-en-2-yl]-2,2,5-trimethyl-3,6-dihydrooxasiline is sourced from PubChem (CID 11651317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).