(E)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-en-1-ol

C14H28O3Si — CID 10967661

IUPAC(E)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-en-1-ol
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CCCO[C@@H]1/C=C/CO
InChIInChI=1S/C14H28O3Si/c1-14(2,3)18(4,5)17-13-9-7-11-16-12(13)8-6-10-15/h6,8,12-13,15H,7,9-11H2,1-5H3/b8-6+/t12-,13+/m1/s1
InChIKeySJRUNXCIPCBXDS-DZTBXEGKSA-N
MW272.46 g/mol
LogP3.10
Rot. Bonds4

About (E)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-en-1-ol

(E)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-en-1-ol (PubChem CID 10967661) has the molecular formula C14H28O3Si and a molecular weight of 272.46 g/mol. Its IUPAC name is (E)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-en-1-ol
PubChem CID10967661
Molecular FormulaC14H28O3Si
Molecular Weight272.46 g/mol
Exact Mass272.18
IUPAC Name(E)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-en-1-ol
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CCCO[C@@H]1/C=C/CO
InChIInChI=1S/C14H28O3Si/c1-14(2,3)18(4,5)17-13-9-7-11-16-12(13)8-6-10-15/h6,8,12-13,15H,7,9-11H2,1-5H3/b8-6+/t12-,13+/m1/s1
InChIKeySJRUNXCIPCBXDS-DZTBXEGKSA-N
XLogP3.10
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

(Z)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-en-1-ol
CID 44397489
tert-butyl-[(2R,3R)-2-ethenyloxan-3-yl]oxy-dimethylsilane
CID 12192985
(E)-4-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]but-2-en-1-ol
CID 44397485
(E)-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-enoic acid
CID 12192991
(2R,3S)-2-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]oxan-3-ol
CID 44397615
(Z)-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-en-1-ol
CID 44420199
(1S,2R,3R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-8-oxabicyclo[3.2.1]oct-6-ene-2,3-diol
CID 11288769
tert-butyl-dimethyl-[(2R,3S,6R)-4-methylidene-2,6-bis[(E)-prop-1-enyl]oxan-3-yl]oxysilane
CID 101185879
(E)-3-[(2R,3R,5Z,8R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-3,4,7,8-tetrahydro-2H-oxocin-8-yl]prop-2-en-1-ol
CID 11034764
tert-butyl-[(2R,3S)-2-ethenyloxan-3-yl]oxy-dimethylsilane
CID 11096805
(1S,2R,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-8-oxabicyclo[3.2.1]oct-6-ene-2,3-diol
CID 102377682
[(2R,3S,6S)-3-methyl-2-[3-tri(propan-2-yl)silyloxypropyl]-3,6-dihydro-2H-pyran-6-yl]methanol
CID 11382298

Frequently Asked Questions

What is the IUPAC name of (E)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-en-1-ol?
The IUPAC name of (E)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-en-1-ol (CID 10967661) is (E)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-en-1-ol.
What is the SMILES notation for (E)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-en-1-ol?
The canonical SMILES for (E)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-en-1-ol is CC(C)(C)[Si](C)(C)O[C@H]1CCCO[C@@H]1/C=C/CO.
What is the InChIKey of (E)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-en-1-ol?
The InChIKey is SJRUNXCIPCBXDS-DZTBXEGKSA-N. The full InChI is InChI=1S/C14H28O3Si/c1-14(2,3)18(4,5)17-13-9-7-11-16-12(13)8-6-10-15/h6,8,12-13,15H,7,9-11H2,1-5H3/b8-6+/t12-,13+/m1/s1.
What are the key properties of (E)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-en-1-ol?
(E)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-en-1-ol has a molecular weight of 272.46 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-en-1-ol is sourced from PubChem (CID 10967661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).