(E,4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(2R,3S)-2-prop-2-enyloxan-3-yl]oxypent-2-en-1-ol

C19H36O4Si — CID 101349439

IUPAC(E,4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(2R,3S)-2-prop-2-enyloxan-3-yl]oxypent-2-en-1-ol
SMILESC=CC[C@H]1OCCC[C@@H]1O[C@@H](/C=C/CO)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H36O4Si/c1-7-10-17-18(12-9-14-21-17)23-16(11-8-13-20)15-22-24(5,6)19(2,3)4/h7-8,11,16-18,20H,1,9-10,12-15H2,2-6H3/b11-8+/t16-,17+,18-/m0/s1
InChIKeyXFRPRDAPGVLKDM-QLRBWSNQSA-N
MW356.58 g/mol
LogP4.07
Rot. Bonds9

About (E,4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(2R,3S)-2-prop-2-enyloxan-3-yl]oxypent-2-en-1-ol

(E,4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(2R,3S)-2-prop-2-enyloxan-3-yl]oxypent-2-en-1-ol (PubChem CID 101349439) has the molecular formula C19H36O4Si and a molecular weight of 356.58 g/mol. Its IUPAC name is (E,4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(2R,3S)-2-prop-2-enyloxan-3-yl]oxypent-2-en-1-ol.

Molecular Properties

Compound Name(E,4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(2R,3S)-2-prop-2-enyloxan-3-yl]oxypent-2-en-1-ol
PubChem CID101349439
Molecular FormulaC19H36O4Si
Molecular Weight356.58 g/mol
Exact Mass356.24
IUPAC Name(E,4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(2R,3S)-2-prop-2-enyloxan-3-yl]oxypent-2-en-1-ol
SMILESC=CC[C@H]1OCCC[C@@H]1O[C@@H](/C=C/CO)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H36O4Si/c1-7-10-17-18(12-9-14-21-17)23-16(11-8-13-20)15-22-24(5,6)19(2,3)4/h7-8,11,16-18,20H,1,9-10,12-15H2,2-6H3/b11-8+/t16-,17+,18-/m0/s1
InChIKeyXFRPRDAPGVLKDM-QLRBWSNQSA-N
XLogP4.07
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.58
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

(Z)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-en-1-ol
CID 44397489
(E)-4-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]but-2-en-1-ol
CID 44397485
(E)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-en-1-ol
CID 10967661
(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
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
(1S,2R,3R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-8-oxabicyclo[3.2.1]oct-6-ene-2,3-diol
CID 11288769
(1S,2R,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-8-oxabicyclo[3.2.1]oct-6-ene-2,3-diol
CID 102377682
tert-butyl-[(2S,3R)-2-[(2E,5E,8E)-deca-2,5,8-trienyl]oxan-3-yl]oxy-dimethylsilane
CID 135077331
2-[6-[6-(tert-Butyldimethylsilanyloxy)hept-1-enyl]-3-(2-methoxyethoxymethoxy) tetrahydropyran-2-yl]ethanol
CID 145864151
(S)-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]-(3,4-dihydro-2H-pyran-6-yl)methanol
CID 10687754

Frequently Asked Questions

What is the IUPAC name of (E,4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(2R,3S)-2-prop-2-enyloxan-3-yl]oxypent-2-en-1-ol?
The IUPAC name of (E,4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(2R,3S)-2-prop-2-enyloxan-3-yl]oxypent-2-en-1-ol (CID 101349439) is (E,4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(2R,3S)-2-prop-2-enyloxan-3-yl]oxypent-2-en-1-ol.
What is the SMILES notation for (E,4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(2R,3S)-2-prop-2-enyloxan-3-yl]oxypent-2-en-1-ol?
The canonical SMILES for (E,4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(2R,3S)-2-prop-2-enyloxan-3-yl]oxypent-2-en-1-ol is C=CC[C@H]1OCCC[C@@H]1O[C@@H](/C=C/CO)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E,4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(2R,3S)-2-prop-2-enyloxan-3-yl]oxypent-2-en-1-ol?
The InChIKey is XFRPRDAPGVLKDM-QLRBWSNQSA-N. The full InChI is InChI=1S/C19H36O4Si/c1-7-10-17-18(12-9-14-21-17)23-16(11-8-13-20)15-22-24(5,6)19(2,3)4/h7-8,11,16-18,20H,1,9-10,12-15H2,2-6H3/b11-8+/t16-,17+,18-/m0/s1.
What are the key properties of (E,4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(2R,3S)-2-prop-2-enyloxan-3-yl]oxypent-2-en-1-ol?
(E,4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(2R,3S)-2-prop-2-enyloxan-3-yl]oxypent-2-en-1-ol has a molecular weight of 356.58 g/mol, XLogP of 4.07, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(2R,3S)-2-prop-2-enyloxan-3-yl]oxypent-2-en-1-ol is sourced from PubChem (CID 101349439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).