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

C21H42O4Si — CID 59466815

IUPAC(Z,4R)-1-[(4R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4,5-dimethylhex-2-en-1-ol
SMILESCC(C)[C@@H](C)/C=C\C(O)[C@H]1OC(C)(C)O[C@H]1CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H42O4Si/c1-15(2)16(3)11-12-17(22)19-18(24-21(7,8)25-19)13-14-23-26(9,10)20(4,5)6/h11-12,15-19,22H,13-14H2,1-10H3/b12-11-/t16-,17?,18-,19+/m0/s1
InChIKeyYCTQVQMZNSVPBT-DBUOLXMFSA-N
MW386.65 g/mol
LogP5.13
Rot. Bonds8

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

(Z,4R)-1-[(4R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4,5-dimethylhex-2-en-1-ol (PubChem CID 59466815) has the molecular formula C21H42O4Si and a molecular weight of 386.65 g/mol. Its IUPAC name is (Z,4R)-1-[(4R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4,5-dimethylhex-2-en-1-ol.

Molecular Properties

Compound Name(Z,4R)-1-[(4R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4,5-dimethylhex-2-en-1-ol
PubChem CID59466815
Molecular FormulaC21H42O4Si
Molecular Weight386.65 g/mol
Exact Mass386.29
IUPAC Name(Z,4R)-1-[(4R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4,5-dimethylhex-2-en-1-ol
SMILESCC(C)[C@@H](C)/C=C\C(O)[C@H]1OC(C)(C)O[C@H]1CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H42O4Si/c1-15(2)16(3)11-12-17(22)19-18(24-21(7,8)25-19)13-14-23-26(9,10)20(4,5)6/h11-12,15-19,22H,13-14H2,1-10H3/b12-11-/t16-,17?,18-,19+/m0/s1
InChIKeyYCTQVQMZNSVPBT-DBUOLXMFSA-N
XLogP5.13
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.65
LogP ≤ 55.13
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,4R)-1-[(4R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4,5-dimethylhex-2-en-1-ol?
The IUPAC name of (Z,4R)-1-[(4R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4,5-dimethylhex-2-en-1-ol (CID 59466815) is (Z,4R)-1-[(4R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4,5-dimethylhex-2-en-1-ol.
What is the SMILES notation for (Z,4R)-1-[(4R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4,5-dimethylhex-2-en-1-ol?
The canonical SMILES for (Z,4R)-1-[(4R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4,5-dimethylhex-2-en-1-ol is CC(C)[C@@H](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,4R)-1-[(4R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4,5-dimethylhex-2-en-1-ol?
The InChIKey is YCTQVQMZNSVPBT-DBUOLXMFSA-N. The full InChI is InChI=1S/C21H42O4Si/c1-15(2)16(3)11-12-17(22)19-18(24-21(7,8)25-19)13-14-23-26(9,10)20(4,5)6/h11-12,15-19,22H,13-14H2,1-10H3/b12-11-/t16-,17?,18-,19+/m0/s1.
What are the key properties of (Z,4R)-1-[(4R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4,5-dimethylhex-2-en-1-ol?
(Z,4R)-1-[(4R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4,5-dimethylhex-2-en-1-ol has a molecular weight of 386.65 g/mol, XLogP of 5.13, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,4R)-1-[(4R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4,5-dimethylhex-2-en-1-ol is sourced from PubChem (CID 59466815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).