(Z)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-enal

C14H26O3Si — CID 11265714

IUPAC(Z)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-enal
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CCCO[C@@H]1/C=C\C=O
InChIInChI=1S/C14H26O3Si/c1-14(2,3)18(4,5)17-13-9-7-11-16-12(13)8-6-10-15/h6,8,10,12-13H,7,9,11H2,1-5H3/b8-6-/t12-,13+/m1/s1
InChIKeyOUUKFOZYNDGVRJ-UWNIJABGSA-N
MW270.44 g/mol
LogP3.31
Rot. Bonds4

About (Z)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-enal

(Z)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-enal (PubChem CID 11265714) has the molecular formula C14H26O3Si and a molecular weight of 270.44 g/mol. Its IUPAC name is (Z)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-enal.

Molecular Properties

Compound Name(Z)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-enal
PubChem CID11265714
Molecular FormulaC14H26O3Si
Molecular Weight270.44 g/mol
Exact Mass270.17
IUPAC Name(Z)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-enal
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CCCO[C@@H]1/C=C\C=O
InChIInChI=1S/C14H26O3Si/c1-14(2,3)18(4,5)17-13-9-7-11-16-12(13)8-6-10-15/h6,8,10,12-13H,7,9,11H2,1-5H3/b8-6-/t12-,13+/m1/s1
InChIKeyOUUKFOZYNDGVRJ-UWNIJABGSA-N
XLogP3.31
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl (Z)-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-enoate
CID 16066828
methyl (E)-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-enoate
CID 12192990
methyl (E)-4-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]but-2-enoate
CID 44397378
(E)-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-enoic acid
CID 12192991
methyl (E)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-enoate
CID 14656184
methyl (Z)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-enoate
CID 44397488
ethyl (E)-3-[(2R,3S,4E)-3-[tert-butyl(dimethyl)silyl]oxy-4-(2-ethoxy-2-oxoethylidene)oxan-2-yl]prop-2-enoate
CID 15934809
(E)-3-[(2S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methyloxan-2-yl]but-2-enal
CID 22848920
3-[(2S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methyloxan-2-yl]but-2-enal
CID 57135470
3-(2-Dimethylsilyloxan-2-yl)prop-2-enal
CID 175234736
methyl (E)-4-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]but-2-enoate
CID 10979966
methyl (E)-3-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-enoate
CID 11324058

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-enal?
The IUPAC name of (Z)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-enal (CID 11265714) is (Z)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-enal.
What is the SMILES notation for (Z)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-enal?
The canonical SMILES for (Z)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-enal is CC(C)(C)[Si](C)(C)O[C@H]1CCCO[C@@H]1/C=C\C=O.
What is the InChIKey of (Z)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-enal?
The InChIKey is OUUKFOZYNDGVRJ-UWNIJABGSA-N. The full InChI is InChI=1S/C14H26O3Si/c1-14(2,3)18(4,5)17-13-9-7-11-16-12(13)8-6-10-15/h6,8,10,12-13H,7,9,11H2,1-5H3/b8-6-/t12-,13+/m1/s1.
What are the key properties of (Z)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-enal?
(Z)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-enal has a molecular weight of 270.44 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-enal is sourced from PubChem (CID 11265714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).