2-[(4S,5S)-5-[(Z)-1-[tert-butyl(dimethyl)silyl]oxy-5-methylhex-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol

C20H40O4Si — CID 58304780

IUPAC2-[(4S,5S)-5-[(Z)-1-[tert-butyl(dimethyl)silyl]oxy-5-methylhex-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
SMILESCC(C)C/C=C\C(O[Si](C)(C)C(C)(C)C)[C@H]1OC(C)(C)O[C@H]1CCO
InChIInChI=1S/C20H40O4Si/c1-15(2)11-10-12-17(24-25(8,9)19(3,4)5)18-16(13-14-21)22-20(6,7)23-18/h10,12,15-18,21H,11,13-14H2,1-9H3/b12-10-/t16-,17?,18-/m0/s1
InChIKeyWOIGYEXOJXXDCF-BEDOKAMBSA-N
MW372.62 g/mol
LogP4.88
Rot. Bonds8

About 2-[(4S,5S)-5-[(Z)-1-[tert-butyl(dimethyl)silyl]oxy-5-methylhex-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol

2-[(4S,5S)-5-[(Z)-1-[tert-butyl(dimethyl)silyl]oxy-5-methylhex-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol (PubChem CID 58304780) has the molecular formula C20H40O4Si and a molecular weight of 372.62 g/mol. Its IUPAC name is 2-[(4S,5S)-5-[(Z)-1-[tert-butyl(dimethyl)silyl]oxy-5-methylhex-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol.

Molecular Properties

Compound Name2-[(4S,5S)-5-[(Z)-1-[tert-butyl(dimethyl)silyl]oxy-5-methylhex-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
PubChem CID58304780
Molecular FormulaC20H40O4Si
Molecular Weight372.62 g/mol
Exact Mass372.27
IUPAC Name2-[(4S,5S)-5-[(Z)-1-[tert-butyl(dimethyl)silyl]oxy-5-methylhex-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
SMILESCC(C)C/C=C\C(O[Si](C)(C)C(C)(C)C)[C@H]1OC(C)(C)O[C@H]1CCO
InChIInChI=1S/C20H40O4Si/c1-15(2)11-10-12-17(24-25(8,9)19(3,4)5)18-16(13-14-21)22-20(6,7)23-18/h10,12,15-18,21H,11,13-14H2,1-9H3/b12-10-/t16-,17?,18-/m0/s1
InChIKeyWOIGYEXOJXXDCF-BEDOKAMBSA-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 2-[(4S,5S)-5-[(Z)-1-[tert-butyl(dimethyl)silyl]oxy-5-methylhex-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol?
The IUPAC name of 2-[(4S,5S)-5-[(Z)-1-[tert-butyl(dimethyl)silyl]oxy-5-methylhex-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol (CID 58304780) is 2-[(4S,5S)-5-[(Z)-1-[tert-butyl(dimethyl)silyl]oxy-5-methylhex-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol.
What is the SMILES notation for 2-[(4S,5S)-5-[(Z)-1-[tert-butyl(dimethyl)silyl]oxy-5-methylhex-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol?
The canonical SMILES for 2-[(4S,5S)-5-[(Z)-1-[tert-butyl(dimethyl)silyl]oxy-5-methylhex-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol is CC(C)C/C=C\C(O[Si](C)(C)C(C)(C)C)[C@H]1OC(C)(C)O[C@H]1CCO.
What is the InChIKey of 2-[(4S,5S)-5-[(Z)-1-[tert-butyl(dimethyl)silyl]oxy-5-methylhex-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol?
The InChIKey is WOIGYEXOJXXDCF-BEDOKAMBSA-N. The full InChI is InChI=1S/C20H40O4Si/c1-15(2)11-10-12-17(24-25(8,9)19(3,4)5)18-16(13-14-21)22-20(6,7)23-18/h10,12,15-18,21H,11,13-14H2,1-9H3/b12-10-/t16-,17?,18-/m0/s1.
What are the key properties of 2-[(4S,5S)-5-[(Z)-1-[tert-butyl(dimethyl)silyl]oxy-5-methylhex-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol?
2-[(4S,5S)-5-[(Z)-1-[tert-butyl(dimethyl)silyl]oxy-5-methylhex-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol 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 2-[(4S,5S)-5-[(Z)-1-[tert-butyl(dimethyl)silyl]oxy-5-methylhex-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol is sourced from PubChem (CID 58304780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).