(Z)-1-[(4R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methylhex-2-en-1-ol

C20H40O4Si — CID 59467047

IUPAC(Z)-1-[(4R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methylhex-2-en-1-ol
SMILESCC(C)C/C=C\C(O)[C@H]1OC(C)(C)O[C@H]1CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H40O4Si/c1-15(2)11-10-12-16(21)18-17(23-20(6,7)24-18)13-14-22-25(8,9)19(3,4)5/h10,12,15-18,21H,11,13-14H2,1-9H3/b12-10-/t16?,17-,18+/m0/s1
InChIKeyHYQLMGQHAVYHBH-KHMHCMGPSA-N
MW372.62 g/mol
LogP4.88
Rot. Bonds8

About (Z)-1-[(4R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methylhex-2-en-1-ol

(Z)-1-[(4R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methylhex-2-en-1-ol (PubChem CID 59467047) has the molecular formula C20H40O4Si and a molecular weight of 372.62 g/mol. Its IUPAC name is (Z)-1-[(4R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methylhex-2-en-1-ol.

Molecular Properties

Compound Name(Z)-1-[(4R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methylhex-2-en-1-ol
PubChem CID59467047
Molecular FormulaC20H40O4Si
Molecular Weight372.62 g/mol
Exact Mass372.27
IUPAC Name(Z)-1-[(4R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methylhex-2-en-1-ol
SMILESCC(C)C/C=C\C(O)[C@H]1OC(C)(C)O[C@H]1CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H40O4Si/c1-15(2)11-10-12-16(21)18-17(23-20(6,7)24-18)13-14-22-25(8,9)19(3,4)5/h10,12,15-18,21H,11,13-14H2,1-9H3/b12-10-/t16?,17-,18+/m0/s1
InChIKeyHYQLMGQHAVYHBH-KHMHCMGPSA-N
XLogP4.88
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.62
LogP ≤ 54.88
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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Frequently Asked Questions

What is the IUPAC name of (Z)-1-[(4R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methylhex-2-en-1-ol?
The IUPAC name of (Z)-1-[(4R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methylhex-2-en-1-ol (CID 59467047) is (Z)-1-[(4R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methylhex-2-en-1-ol.
What is the SMILES notation for (Z)-1-[(4R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methylhex-2-en-1-ol?
The canonical SMILES for (Z)-1-[(4R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methylhex-2-en-1-ol is CC(C)C/C=C\C(O)[C@H]1OC(C)(C)O[C@H]1CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (Z)-1-[(4R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methylhex-2-en-1-ol?
The InChIKey is HYQLMGQHAVYHBH-KHMHCMGPSA-N. The full InChI is InChI=1S/C20H40O4Si/c1-15(2)11-10-12-16(21)18-17(23-20(6,7)24-18)13-14-22-25(8,9)19(3,4)5/h10,12,15-18,21H,11,13-14H2,1-9H3/b12-10-/t16?,17-,18+/m0/s1.
What are the key properties of (Z)-1-[(4R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methylhex-2-en-1-ol?
(Z)-1-[(4R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methylhex-2-en-1-ol has a molecular weight of 372.62 g/mol, XLogP of 4.88, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[(4R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methylhex-2-en-1-ol is sourced from PubChem (CID 59467047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).