(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

C27H52O4Si2 — CID 53465582

IUPAC(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
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1O[C@@](C)(CO[Si](C)(C)C(C)(C)C)C=C1/C=C\CCC/C=C/CO
InChIInChI=1S/C27H52O4Si2/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/h15-18,20,24,28H,12-14,19,21-22H2,1-11H3/b17-15+,18-16-/t24-,27-/m1/s1
InChIKeyVHPUCUVVFZJUNY-YYDUXTSFSA-N
MW496.88 g/mol
LogP7.39
Rot. Bonds12

About (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

(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 (PubChem CID 53465582) has the molecular formula C27H52O4Si2 and a molecular weight of 496.88 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID53465582
Molecular FormulaC27H52O4Si2
Molecular Weight496.88 g/mol
Exact Mass496.34
IUPAC Name(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
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1O[C@@](C)(CO[Si](C)(C)C(C)(C)C)C=C1/C=C\CCC/C=C/CO
InChIInChI=1S/C27H52O4Si2/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/h15-18,20,24,28H,12-14,19,21-22H2,1-11H3/b17-15+,18-16-/t24-,27-/m1/s1
InChIKeyVHPUCUVVFZJUNY-YYDUXTSFSA-N
XLogP7.39
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.88
LogP ≤ 57.39
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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Related Compounds

(E)-3-[(2R,3R,5Z,8R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-3,4,7,8-tetrahydro-2H-oxocin-8-yl]prop-2-en-1-ol
CID 11034764
tert-butyl-[(2R)-2-[(1S,4R)-4-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-4-en-2-yl]oxycyclopent-2-en-1-yl]oxy-4-methylpent-4-enoxy]-dimethylsilane
CID 11800231
tert-butyl-[(2R)-2-[(1S,4R)-4-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-4-en-2-yl]oxycyclopent-2-en-1-yl]oxy-4-methylpent-4-enoxy]-dimethylsilane
CID 134887489
(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
(2Z,4R,6Z,8E,12E,15S,16E,18Z)-20-[tert-butyl(dimethyl)silyl]oxy-18-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxy-3,15-dimethylicosa-2,6,8,12,16,18-hexaen-1-ol
CID 11192978
[4-[1-[Tert-butyl(dimethyl)silyl]oxybutan-2-yloxy]cyclohexa-1,5-dien-1-yl]methanol
CID 173932471
(2R,3S,6R)-6-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-5-methyl-2-[tri(propan-2-yl)silyloxymethyl]-3,6-dihydro-2H-pyran-3-ol
CID 10672201
tert-butyl-[(1S)-1-[(2R)-3-ethenyl-2,5-dihydrofuran-2-yl]ethoxy]-dimethylsilane
CID 12992190
(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
(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,6Z,8E,12E,15S,16E,18Z)-20-[tert-butyl(dimethyl)silyl]oxy-18-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxy-3,11,15-trimethylicosa-2,6,8,12,16,18-hexaen-1-ol
CID 101358719
(2Z,4R,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methylocta-2,7-dien-1-ol
CID 102045929

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@](C)(CO[Si](C)(C)C(C)(C)C)C=C1/C=C\CCC/C=C/CO.
What is the InChIKey of (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?
The InChIKey is VHPUCUVVFZJUNY-YYDUXTSFSA-N. The full InChI is InChI=1S/C27H52O4Si2/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/h15-18,20,24,28H,12-14,19,21-22H2,1-11H3/b17-15+,18-16-/t24-,27-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 496.88 g/mol, XLogP of 7.39, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 53465582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).