trimethyl-[(E,3R)-3-(oxan-2-yloxy)but-1-enyl]silane

C12H24O2Si — CID 134987743

IUPACtrimethyl-[(E,3R)-3-(oxan-2-yloxy)but-1-enyl]silane
SMILESC[C@H](/C=C/[Si](C)(C)C)OC1CCCCO1
InChIInChI=1S/C12H24O2Si/c1-11(8-10-15(2,3)4)14-12-7-5-6-9-13-12/h8,10-12H,5-7,9H2,1-4H3/b10-8+/t11-,12?/m1/s1
InChIKeyUSSSCMGKLNJQRG-XXQJFNKASA-N
MW228.41 g/mol
LogP3.35
Rot. Bonds4

About trimethyl-[(E,3R)-3-(oxan-2-yloxy)but-1-enyl]silane

trimethyl-[(E,3R)-3-(oxan-2-yloxy)but-1-enyl]silane (PubChem CID 134987743) has the molecular formula C12H24O2Si and a molecular weight of 228.41 g/mol. Its IUPAC name is trimethyl-[(E,3R)-3-(oxan-2-yloxy)but-1-enyl]silane.

Molecular Properties

Compound Nametrimethyl-[(E,3R)-3-(oxan-2-yloxy)but-1-enyl]silane
PubChem CID134987743
Molecular FormulaC12H24O2Si
Molecular Weight228.41 g/mol
Exact Mass228.15
IUPAC Nametrimethyl-[(E,3R)-3-(oxan-2-yloxy)but-1-enyl]silane
SMILESC[C@H](/C=C/[Si](C)(C)C)OC1CCCCO1
InChIInChI=1S/C12H24O2Si/c1-11(8-10-15(2,3)4)14-12-7-5-6-9-13-12/h8,10-12H,5-7,9H2,1-4H3/b10-8+/t11-,12?/m1/s1
InChIKeyUSSSCMGKLNJQRG-XXQJFNKASA-N
XLogP3.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.41
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-((Pent-1-en-3-yl)oxy)oxane
CID 14103515
trimethyl-[(Z)-3-(oxan-2-yloxy)-1-trimethylsilylprop-1-en-2-yl]silane
CID 134949433
2-[(Z)-4-butyltellanylbut-3-en-2-yl]oxyoxane
CID 12176976
2-[(But-3-en-2-yl)oxy]oxane
CID 13307470
2,6-Dimethyl-2-[1-(1-prop-2-enoxyethoxy)propyl]oxasilinane
CID 19886951
Trimethyl-[3-(oxan-2-yloxy)prop-1-enyl]silane
CID 54217825
2-[(3R)-hept-1-en-3-yl]oxyoxane
CID 59098330
tert-butyl-dimethyl-[(Z,4S)-4-(oxan-2-yloxy)pent-2-enoxy]silane
CID 59560724
tert-butyl-dimethyl-[(4S)-4-(oxan-2-yloxy)pent-2-enoxy]silane
CID 66603327
Butyl-dimethyl-[2-(oxan-2-yloxy)but-3-enoxy]silane
CID 67880411
Dimethyl-[4-(oxan-2-yloxy)butyl]-prop-2-enylsilane
CID 86200755
(2-But-3-en-2-yloxyoxan-2-yl)silane
CID 173457691

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(E,3R)-3-(oxan-2-yloxy)but-1-enyl]silane?
The IUPAC name of trimethyl-[(E,3R)-3-(oxan-2-yloxy)but-1-enyl]silane (CID 134987743) is trimethyl-[(E,3R)-3-(oxan-2-yloxy)but-1-enyl]silane.
What is the SMILES notation for trimethyl-[(E,3R)-3-(oxan-2-yloxy)but-1-enyl]silane?
The canonical SMILES for trimethyl-[(E,3R)-3-(oxan-2-yloxy)but-1-enyl]silane is C[C@H](/C=C/[Si](C)(C)C)OC1CCCCO1.
What is the InChIKey of trimethyl-[(E,3R)-3-(oxan-2-yloxy)but-1-enyl]silane?
The InChIKey is USSSCMGKLNJQRG-XXQJFNKASA-N. The full InChI is InChI=1S/C12H24O2Si/c1-11(8-10-15(2,3)4)14-12-7-5-6-9-13-12/h8,10-12H,5-7,9H2,1-4H3/b10-8+/t11-,12?/m1/s1.
What are the key properties of trimethyl-[(E,3R)-3-(oxan-2-yloxy)but-1-enyl]silane?
trimethyl-[(E,3R)-3-(oxan-2-yloxy)but-1-enyl]silane has a molecular weight of 228.41 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(E,3R)-3-(oxan-2-yloxy)but-1-enyl]silane is sourced from PubChem (CID 134987743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).