(E)-8-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oct-1-en-3-ol

C19H38O4Si — CID 10666139

IUPAC(E)-8-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oct-1-en-3-ol
SMILESCC1(C)OC[C@H](/C=C/C(O)CCCCCO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C19H38O4Si/c1-18(2,3)24(6,7)22-14-10-8-9-11-16(20)12-13-17-15-21-19(4,5)23-17/h12-13,16-17,20H,8-11,14-15H2,1-7H3/b13-12+/t16?,17-/m0/s1
InChIKeyQYCWWOGGBFDOHG-MQOABIRXSA-N
MW358.60 g/mol
LogP4.64
Rot. Bonds9

About (E)-8-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oct-1-en-3-ol

(E)-8-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oct-1-en-3-ol (PubChem CID 10666139) has the molecular formula C19H38O4Si and a molecular weight of 358.60 g/mol. Its IUPAC name is (E)-8-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oct-1-en-3-ol.

Molecular Properties

Compound Name(E)-8-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oct-1-en-3-ol
PubChem CID10666139
Molecular FormulaC19H38O4Si
Molecular Weight358.60 g/mol
Exact Mass358.25
IUPAC Name(E)-8-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oct-1-en-3-ol
SMILESCC1(C)OC[C@H](/C=C/C(O)CCCCCO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C19H38O4Si/c1-18(2,3)24(6,7)22-14-10-8-9-11-16(20)12-13-17-15-21-19(4,5)23-17/h12-13,16-17,20H,8-11,14-15H2,1-7H3/b13-12+/t16?,17-/m0/s1
InChIKeyQYCWWOGGBFDOHG-MQOABIRXSA-N
XLogP4.64
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.60
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 (E)-8-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oct-1-en-3-ol?
The IUPAC name of (E)-8-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oct-1-en-3-ol (CID 10666139) is (E)-8-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oct-1-en-3-ol.
What is the SMILES notation for (E)-8-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oct-1-en-3-ol?
The canonical SMILES for (E)-8-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oct-1-en-3-ol is CC1(C)OC[C@H](/C=C/C(O)CCCCCO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of (E)-8-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oct-1-en-3-ol?
The InChIKey is QYCWWOGGBFDOHG-MQOABIRXSA-N. The full InChI is InChI=1S/C19H38O4Si/c1-18(2,3)24(6,7)22-14-10-8-9-11-16(20)12-13-17-15-21-19(4,5)23-17/h12-13,16-17,20H,8-11,14-15H2,1-7H3/b13-12+/t16?,17-/m0/s1.
What are the key properties of (E)-8-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oct-1-en-3-ol?
(E)-8-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oct-1-en-3-ol has a molecular weight of 358.60 g/mol, XLogP of 4.64, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-8-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oct-1-en-3-ol is sourced from PubChem (CID 10666139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).