(E)-8-[(2S,5R)-2,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-2H-furan-3-yl]oct-2-en-7-yn-1-ol

C27H50O4Si2 — CID 53465581

IUPAC(E)-8-[(2S,5R)-2,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-2H-furan-3-yl]oct-2-en-7-yn-1-ol
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1O[C@@](C)(CO[Si](C)(C)C(C)(C)C)C=C1C#CCCC/C=C/CO
InChIInChI=1S/C27H50O4Si2/c1-25(2,3)32(8,9)29-21-24-23(18-16-14-12-13-15-17-19-28)20-27(7,31-24)22-30-33(10,11)26(4,5)6/h15,17,20,24,28H,12-14,19,21-22H2,1-11H3/b17-15+/t24-,27-/m1/s1
InChIKeyWZWHGTWECIZLTR-UERZAAGWSA-N
MW494.87 g/mol
LogP6.84
Rot. Bonds10

About (E)-8-[(2S,5R)-2,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-2H-furan-3-yl]oct-2-en-7-yn-1-ol

(E)-8-[(2S,5R)-2,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-2H-furan-3-yl]oct-2-en-7-yn-1-ol (PubChem CID 53465581) has the molecular formula C27H50O4Si2 and a molecular weight of 494.87 g/mol. Its IUPAC name is (E)-8-[(2S,5R)-2,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-2H-furan-3-yl]oct-2-en-7-yn-1-ol.

Molecular Properties

Compound Name(E)-8-[(2S,5R)-2,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-2H-furan-3-yl]oct-2-en-7-yn-1-ol
PubChem CID53465581
Molecular FormulaC27H50O4Si2
Molecular Weight494.87 g/mol
Exact Mass494.32
IUPAC Name(E)-8-[(2S,5R)-2,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-2H-furan-3-yl]oct-2-en-7-yn-1-ol
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1O[C@@](C)(CO[Si](C)(C)C(C)(C)C)C=C1C#CCCC/C=C/CO
InChIInChI=1S/C27H50O4Si2/c1-25(2,3)32(8,9)29-21-24-23(18-16-14-12-13-15-17-19-28)20-27(7,31-24)22-30-33(10,11)26(4,5)6/h15,17,20,24,28H,12-14,19,21-22H2,1-11H3/b17-15+/t24-,27-/m1/s1
InChIKeyWZWHGTWECIZLTR-UERZAAGWSA-N
XLogP6.84
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.87
LogP ≤ 56.84
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (E)-8-[(2S,5R)-2,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-2H-furan-3-yl]oct-2-en-7-yn-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2E,7Z)-8-[(2S,5R)-2,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-2H-furan-3-yl]octa-2,7-dien-1-ol
CID 53465582
(5E)-5-[(4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxy]-2-(2-trimethylsilylethynyl)cyclopent-2-en-1-ylidene]pent-3-yn-2-ol
CID 134901275
(1S)-1-[(2S,5R)-5-[5-tri(propan-2-yl)silylpent-4-ynyl]-2,5-dihydrofuran-2-yl]prop-2-en-1-ol
CID 11717248
(1R,4R,5S)-4-[(2-methylpropan-2-yl)oxy]-1-(2-trimethylsilylethynyl)-5-trimethylsilyloxycyclopent-2-en-1-ol
CID 101115183
(3Z,5S,6S,7E)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-8-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]octa-3,7-dien-1-ol
CID 101181545
(2Z,4R,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methylocta-2,7-dien-1-ol
CID 102045929
(2E,4R,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methylocta-2,7-dien-1-ol
CID 102045930
(1S,8Z,14R,15S)-14,15-bis[[tert-butyl(dimethyl)silyl]oxy]-6-oxabicyclo[10.3.0]pentadeca-8,12-dien-3,10-diyn-1-ol
CID 102411113

Frequently Asked Questions

What is the IUPAC name of (E)-8-[(2S,5R)-2,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-2H-furan-3-yl]oct-2-en-7-yn-1-ol?
The IUPAC name of (E)-8-[(2S,5R)-2,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-2H-furan-3-yl]oct-2-en-7-yn-1-ol (CID 53465581) is (E)-8-[(2S,5R)-2,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-2H-furan-3-yl]oct-2-en-7-yn-1-ol.
What is the SMILES notation for (E)-8-[(2S,5R)-2,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-2H-furan-3-yl]oct-2-en-7-yn-1-ol?
The canonical SMILES for (E)-8-[(2S,5R)-2,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-2H-furan-3-yl]oct-2-en-7-yn-1-ol is CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@](C)(CO[Si](C)(C)C(C)(C)C)C=C1C#CCCC/C=C/CO.
What is the InChIKey of (E)-8-[(2S,5R)-2,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-2H-furan-3-yl]oct-2-en-7-yn-1-ol?
The InChIKey is WZWHGTWECIZLTR-UERZAAGWSA-N. The full InChI is InChI=1S/C27H50O4Si2/c1-25(2,3)32(8,9)29-21-24-23(18-16-14-12-13-15-17-19-28)20-27(7,31-24)22-30-33(10,11)26(4,5)6/h15,17,20,24,28H,12-14,19,21-22H2,1-11H3/b17-15+/t24-,27-/m1/s1.
What are the key properties of (E)-8-[(2S,5R)-2,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-2H-furan-3-yl]oct-2-en-7-yn-1-ol?
(E)-8-[(2S,5R)-2,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-2H-furan-3-yl]oct-2-en-7-yn-1-ol has a molecular weight of 494.87 g/mol, XLogP of 6.84, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-8-[(2S,5R)-2,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-2H-furan-3-yl]oct-2-en-7-yn-1-ol is sourced from PubChem (CID 53465581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).