(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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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).