tert-butyl-[(Z,2R)-hept-3-en-2-yl]oxy-dimethylsilane

C13H28OSi — CID 134856373

IUPACtert-butyl-[(Z,2R)-hept-3-en-2-yl]oxy-dimethylsilane
SMILESCCC/C=C\[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H28OSi/c1-8-9-10-11-12(2)14-15(6,7)13(3,4)5/h10-12H,8-9H2,1-7H3/b11-10-/t12-/m1/s1
InChIKeySBLBYXRJCUJAJJ-NLYDNYMLSA-N
MW228.45 g/mol
LogP4.75
Rot. Bonds5

About tert-butyl-[(Z,2R)-hept-3-en-2-yl]oxy-dimethylsilane

tert-butyl-[(Z,2R)-hept-3-en-2-yl]oxy-dimethylsilane (PubChem CID 134856373) has the molecular formula C13H28OSi and a molecular weight of 228.45 g/mol. Its IUPAC name is tert-butyl-[(Z,2R)-hept-3-en-2-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(Z,2R)-hept-3-en-2-yl]oxy-dimethylsilane
PubChem CID134856373
Molecular FormulaC13H28OSi
Molecular Weight228.45 g/mol
Exact Mass228.19
IUPAC Nametert-butyl-[(Z,2R)-hept-3-en-2-yl]oxy-dimethylsilane
SMILESCCC/C=C\[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H28OSi/c1-8-9-10-11-12(2)14-15(6,7)13(3,4)5/h10-12H,8-9H2,1-7H3/b11-10-/t12-/m1/s1
InChIKeySBLBYXRJCUJAJJ-NLYDNYMLSA-N
XLogP4.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.45
LogP ≤ 54.75
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

[(E)-6-bromohex-3-en-2-yl]oxy-tert-butyl-dimethylsilane
CID 174411016
(Z,6S)-6-[tert-butyl(dimethyl)silyl]oxyhept-4-en-1-ol
CID 10634072
trimethyl(oct-3-en-2-yloxy)silane
CID 531269
tert-butyl-dimethyl-[(E,2S)-5-pyrrolidin-1-ylpent-3-en-2-yl]oxysilane
CID 10445809
tert-butyl-dimethyl-[(E)-undec-3-en-5-yn-2-yl]oxysilane
CID 102072944
butan-2-yloxy-tert-butyl-dimethylsilane;methane
CID 158755840
(9Z,12Z,15Z)-17-[tert-butyl(dimethyl)silyl]oxyoctadeca-9,12,15-trienoic acid
CID 100938118
tert-butyl-[(E,3S)-7-iodohept-4-en-3-yl]oxy-dimethylsilane
CID 87999521
(E,1R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-phenylhex-3-en-1-ol
CID 66573505
methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethylhex-3-enoate
CID 139263493
(2E,4S,5S,6E)-4-[tert-butyl(dimethyl)silyl]oxyundeca-2,6-dien-5-ol
CID 10334877
(E)-2-ethenoxyhept-3-ene
CID 102248112

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(Z,2R)-hept-3-en-2-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(Z,2R)-hept-3-en-2-yl]oxy-dimethylsilane (CID 134856373) is tert-butyl-[(Z,2R)-hept-3-en-2-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(Z,2R)-hept-3-en-2-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(Z,2R)-hept-3-en-2-yl]oxy-dimethylsilane is CCC/C=C\[C@@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(Z,2R)-hept-3-en-2-yl]oxy-dimethylsilane?
The InChIKey is SBLBYXRJCUJAJJ-NLYDNYMLSA-N. The full InChI is InChI=1S/C13H28OSi/c1-8-9-10-11-12(2)14-15(6,7)13(3,4)5/h10-12H,8-9H2,1-7H3/b11-10-/t12-/m1/s1.
What are the key properties of tert-butyl-[(Z,2R)-hept-3-en-2-yl]oxy-dimethylsilane?
tert-butyl-[(Z,2R)-hept-3-en-2-yl]oxy-dimethylsilane has a molecular weight of 228.45 g/mol, XLogP of 4.75, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(Z,2R)-hept-3-en-2-yl]oxy-dimethylsilane is sourced from PubChem (CID 134856373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).