(2E,4Z)-5-[(2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-propan-2-yloxyoxan-2-yl]penta-2,4-dien-1-ol

C19H36O4Si — CID 162773773

IUPAC(2E,4Z)-5-[(2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-propan-2-yloxyoxan-2-yl]penta-2,4-dien-1-ol
SMILESCC(C)O[C@@H]1CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](/C=C\C=C\CO)O1
InChIInChI=1S/C19H36O4Si/c1-15(2)21-18-13-12-17(23-24(6,7)19(3,4)5)16(22-18)11-9-8-10-14-20/h8-11,15-18,20H,12-14H2,1-7H3/b10-8+,11-9-/t16-,17+,18+/m1/s1
InChIKeyMHPNTOUUMVCYDM-MSDZQTSRSA-N
MW356.58 g/mol
LogP4.41
Rot. Bonds7

About (2E,4Z)-5-[(2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-propan-2-yloxyoxan-2-yl]penta-2,4-dien-1-ol

(2E,4Z)-5-[(2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-propan-2-yloxyoxan-2-yl]penta-2,4-dien-1-ol (PubChem CID 162773773) has the molecular formula C19H36O4Si and a molecular weight of 356.58 g/mol. Its IUPAC name is (2E,4Z)-5-[(2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-propan-2-yloxyoxan-2-yl]penta-2,4-dien-1-ol.

Molecular Properties

Compound Name(2E,4Z)-5-[(2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-propan-2-yloxyoxan-2-yl]penta-2,4-dien-1-ol
PubChem CID162773773
Molecular FormulaC19H36O4Si
Molecular Weight356.58 g/mol
Exact Mass356.24
IUPAC Name(2E,4Z)-5-[(2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-propan-2-yloxyoxan-2-yl]penta-2,4-dien-1-ol
SMILESCC(C)O[C@@H]1CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](/C=C\C=C\CO)O1
InChIInChI=1S/C19H36O4Si/c1-15(2)21-18-13-12-17(23-24(6,7)19(3,4)5)16(22-18)11-9-8-10-14-20/h8-11,15-18,20H,12-14H2,1-7H3/b10-8+,11-9-/t16-,17+,18+/m1/s1
InChIKeyMHPNTOUUMVCYDM-MSDZQTSRSA-N
XLogP4.41
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.58
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-5-[(2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-propan-2-yloxyoxan-2-yl]penta-2,4-dien-1-ol?
The IUPAC name of (2E,4Z)-5-[(2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-propan-2-yloxyoxan-2-yl]penta-2,4-dien-1-ol (CID 162773773) is (2E,4Z)-5-[(2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-propan-2-yloxyoxan-2-yl]penta-2,4-dien-1-ol.
What is the SMILES notation for (2E,4Z)-5-[(2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-propan-2-yloxyoxan-2-yl]penta-2,4-dien-1-ol?
The canonical SMILES for (2E,4Z)-5-[(2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-propan-2-yloxyoxan-2-yl]penta-2,4-dien-1-ol is CC(C)O[C@@H]1CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](/C=C\C=C\CO)O1.
What is the InChIKey of (2E,4Z)-5-[(2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-propan-2-yloxyoxan-2-yl]penta-2,4-dien-1-ol?
The InChIKey is MHPNTOUUMVCYDM-MSDZQTSRSA-N. The full InChI is InChI=1S/C19H36O4Si/c1-15(2)21-18-13-12-17(23-24(6,7)19(3,4)5)16(22-18)11-9-8-10-14-20/h8-11,15-18,20H,12-14H2,1-7H3/b10-8+,11-9-/t16-,17+,18+/m1/s1.
What are the key properties of (2E,4Z)-5-[(2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-propan-2-yloxyoxan-2-yl]penta-2,4-dien-1-ol?
(2E,4Z)-5-[(2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-propan-2-yloxyoxan-2-yl]penta-2,4-dien-1-ol has a molecular weight of 356.58 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-5-[(2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-propan-2-yloxyoxan-2-yl]penta-2,4-dien-1-ol is sourced from PubChem (CID 162773773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).