3-[(2R,4R,5R)-5-[(E)-5-[(4-methoxyphenyl)methoxy]pent-2-en-2-yl]-4-methyloxolan-2-yl]propoxy-tri(propan-2-yl)silane

C30H52O4Si — CID 10951251

IUPAC3-[(2R,4R,5R)-5-[(E)-5-[(4-methoxyphenyl)methoxy]pent-2-en-2-yl]-4-methyloxolan-2-yl]propoxy-tri(propan-2-yl)silane
SMILESCOc1ccc(COCC/C=C(\C)[C@@H]2O[C@H](CCCO[Si](C(C)C)(C(C)C)C(C)C)C[C@H]2C)cc1
InChIInChI=1S/C30H52O4Si/c1-22(2)35(23(3)4,24(5)6)33-19-11-13-29-20-26(8)30(34-29)25(7)12-10-18-32-21-27-14-16-28(31-9)17-15-27/h12,14-17,22-24,26,29-30H,10-11,13,18-21H2,1-9H3/b25-12+/t26-,29-,30+/m1/s1
InChIKeyJTPZXSXYONCRTF-PZJZVSHSSA-N
MW504.83 g/mol
LogP8.31
Rot. Bonds15

About 3-[(2R,4R,5R)-5-[(E)-5-[(4-methoxyphenyl)methoxy]pent-2-en-2-yl]-4-methyloxolan-2-yl]propoxy-tri(propan-2-yl)silane

3-[(2R,4R,5R)-5-[(E)-5-[(4-methoxyphenyl)methoxy]pent-2-en-2-yl]-4-methyloxolan-2-yl]propoxy-tri(propan-2-yl)silane (PubChem CID 10951251) has the molecular formula C30H52O4Si and a molecular weight of 504.83 g/mol. Its IUPAC name is 3-[(2R,4R,5R)-5-[(E)-5-[(4-methoxyphenyl)methoxy]pent-2-en-2-yl]-4-methyloxolan-2-yl]propoxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name3-[(2R,4R,5R)-5-[(E)-5-[(4-methoxyphenyl)methoxy]pent-2-en-2-yl]-4-methyloxolan-2-yl]propoxy-tri(propan-2-yl)silane
PubChem CID10951251
Molecular FormulaC30H52O4Si
Molecular Weight504.83 g/mol
Exact Mass504.36
IUPAC Name3-[(2R,4R,5R)-5-[(E)-5-[(4-methoxyphenyl)methoxy]pent-2-en-2-yl]-4-methyloxolan-2-yl]propoxy-tri(propan-2-yl)silane
SMILESCOc1ccc(COCC/C=C(\C)[C@@H]2O[C@H](CCCO[Si](C(C)C)(C(C)C)C(C)C)C[C@H]2C)cc1
InChIInChI=1S/C30H52O4Si/c1-22(2)35(23(3)4,24(5)6)33-19-11-13-29-20-26(8)30(34-29)25(7)12-10-18-32-21-27-14-16-28(31-9)17-15-27/h12,14-17,22-24,26,29-30H,10-11,13,18-21H2,1-9H3/b25-12+/t26-,29-,30+/m1/s1
InChIKeyJTPZXSXYONCRTF-PZJZVSHSSA-N
XLogP8.31
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.83
LogP ≤ 58.31
H-Bond Donors ≤ 50
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)-7-(4-methoxyphenyl)-5-methylhept-5-enoxy]-tri(propan-2-yl)silane
CID 15236554
methyl (2R,3S,5R)-3-hydroxy-5-[2-[(4-methoxyphenyl)methoxy]ethyl]oxolane-2-carboxylate
CID 101373892
1-methoxy-4-[[(3E)-4-[2-[(4-methoxyphenyl)methoxy]ethyl]-6-methylhepta-3,6-dienoxy]methyl]benzene
CID 101454627
(E)-1-[(2S,5S,6R)-6-[(2S)-2-methoxy-3-[(2R,4R,6S)-6-[2-[(4-methoxyphenyl)methoxy]ethyl]-4-tri(propan-2-yl)silyloxyoxan-2-yl]propyl]-5-methyloxan-2-yl]-6-methylhept-3-en-2-one
CID 11181668
(4R)-4-[2-[(4-methoxyphenyl)methoxy]ethyl]-2,2-dimethyl-1,3-dioxolane
CID 11097485
(1S)-1-[(2S,3R)-3-[2-[(4-methoxyphenyl)methoxy]ethyl]oxiran-2-yl]ethanol
CID 11149422
(3E,5Z)-8-[(4-methoxyphenyl)methoxy]-5-[2-[(4-methoxyphenyl)methoxy]ethyl]-4-methylocta-3,5-dien-1-ol
CID 101399709
2-[(1E,3E)-6-[(4-methoxyphenyl)methoxy]-3-methylhexa-1,3-dienyl]-2,3-dihydropyran-6-one
CID 134832150
(2R,4S,6R)-2-[2-[(4-methoxyphenyl)methoxy]ethyl]-6-[(E)-2-phenylethenyl]oxan-4-ol
CID 138967268
methyl (E,2S,3R)-7-[(4-methoxyphenyl)methoxy]-2,4-dimethyl-3-triethylsilyloxyhept-4-enoate
CID 10895412
[(2S,3S)-3-[2-[(4-methoxyphenyl)methoxy]ethyl]oxiran-2-yl]methanol
CID 11053700
[2-[2-[(4-methoxyphenyl)methoxy]ethyl]-3-[(E)-1-trimethylsilylprop-1-en-2-yl]cyclopropyl]methanol
CID 132564594

Frequently Asked Questions

What is the IUPAC name of 3-[(2R,4R,5R)-5-[(E)-5-[(4-methoxyphenyl)methoxy]pent-2-en-2-yl]-4-methyloxolan-2-yl]propoxy-tri(propan-2-yl)silane?
The IUPAC name of 3-[(2R,4R,5R)-5-[(E)-5-[(4-methoxyphenyl)methoxy]pent-2-en-2-yl]-4-methyloxolan-2-yl]propoxy-tri(propan-2-yl)silane (CID 10951251) is 3-[(2R,4R,5R)-5-[(E)-5-[(4-methoxyphenyl)methoxy]pent-2-en-2-yl]-4-methyloxolan-2-yl]propoxy-tri(propan-2-yl)silane.
What is the SMILES notation for 3-[(2R,4R,5R)-5-[(E)-5-[(4-methoxyphenyl)methoxy]pent-2-en-2-yl]-4-methyloxolan-2-yl]propoxy-tri(propan-2-yl)silane?
The canonical SMILES for 3-[(2R,4R,5R)-5-[(E)-5-[(4-methoxyphenyl)methoxy]pent-2-en-2-yl]-4-methyloxolan-2-yl]propoxy-tri(propan-2-yl)silane is COc1ccc(COCC/C=C(\C)[C@@H]2O[C@H](CCCO[Si](C(C)C)(C(C)C)C(C)C)C[C@H]2C)cc1.
What is the InChIKey of 3-[(2R,4R,5R)-5-[(E)-5-[(4-methoxyphenyl)methoxy]pent-2-en-2-yl]-4-methyloxolan-2-yl]propoxy-tri(propan-2-yl)silane?
The InChIKey is JTPZXSXYONCRTF-PZJZVSHSSA-N. The full InChI is InChI=1S/C30H52O4Si/c1-22(2)35(23(3)4,24(5)6)33-19-11-13-29-20-26(8)30(34-29)25(7)12-10-18-32-21-27-14-16-28(31-9)17-15-27/h12,14-17,22-24,26,29-30H,10-11,13,18-21H2,1-9H3/b25-12+/t26-,29-,30+/m1/s1.
What are the key properties of 3-[(2R,4R,5R)-5-[(E)-5-[(4-methoxyphenyl)methoxy]pent-2-en-2-yl]-4-methyloxolan-2-yl]propoxy-tri(propan-2-yl)silane?
3-[(2R,4R,5R)-5-[(E)-5-[(4-methoxyphenyl)methoxy]pent-2-en-2-yl]-4-methyloxolan-2-yl]propoxy-tri(propan-2-yl)silane has a molecular weight of 504.83 g/mol, XLogP of 8.31, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R,4R,5R)-5-[(E)-5-[(4-methoxyphenyl)methoxy]pent-2-en-2-yl]-4-methyloxolan-2-yl]propoxy-tri(propan-2-yl)silane is sourced from PubChem (CID 10951251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).