4-[[tert-butyl-[tert-butyl-[(4-hydroxy-4-prop-2-enylcyclopent-2-en-1-yl)methyl]-methylsilyl]oxy-methylsilyl]methyl]-1-prop-2-enylcyclopent-2-en-1-ol

C28H50O3Si2 — CID 142626661

IUPAC4-[[tert-butyl-[tert-butyl-[(4-hydroxy-4-prop-2-enylcyclopent-2-en-1-yl)methyl]-methylsilyl]oxy-methylsilyl]methyl]-1-prop-2-enylcyclopent-2-en-1-ol
SMILESC=CCC1(O)C=CC(C[Si](C)(O[Si](C)(CC2C=CC(O)(CC=C)C2)C(C)(C)C)C(C)(C)C)C1
InChIInChI=1S/C28H50O3Si2/c1-11-15-27(29)17-13-23(19-27)21-32(9,25(3,4)5)31-33(10,26(6,7)8)22-24-14-18-28(30,20-24)16-12-2/h11-14,17-18,23-24,29-30H,1-2,15-16,19-22H2,3-10H3
InChIKeyWGWPVGNCVYAAOI-UHFFFAOYSA-N
MW490.88 g/mol
LogP7.52
Rot. Bonds10

About 4-[[tert-butyl-[tert-butyl-[(4-hydroxy-4-prop-2-enylcyclopent-2-en-1-yl)methyl]-methylsilyl]oxy-methylsilyl]methyl]-1-prop-2-enylcyclopent-2-en-1-ol

4-[[tert-butyl-[tert-butyl-[(4-hydroxy-4-prop-2-enylcyclopent-2-en-1-yl)methyl]-methylsilyl]oxy-methylsilyl]methyl]-1-prop-2-enylcyclopent-2-en-1-ol (PubChem CID 142626661) has the molecular formula C28H50O3Si2 and a molecular weight of 490.88 g/mol. Its IUPAC name is 4-[[tert-butyl-[tert-butyl-[(4-hydroxy-4-prop-2-enylcyclopent-2-en-1-yl)methyl]-methylsilyl]oxy-methylsilyl]methyl]-1-prop-2-enylcyclopent-2-en-1-ol.

Molecular Properties

Compound Name4-[[tert-butyl-[tert-butyl-[(4-hydroxy-4-prop-2-enylcyclopent-2-en-1-yl)methyl]-methylsilyl]oxy-methylsilyl]methyl]-1-prop-2-enylcyclopent-2-en-1-ol
PubChem CID142626661
Molecular FormulaC28H50O3Si2
Molecular Weight490.88 g/mol
Exact Mass490.33
IUPAC Name4-[[tert-butyl-[tert-butyl-[(4-hydroxy-4-prop-2-enylcyclopent-2-en-1-yl)methyl]-methylsilyl]oxy-methylsilyl]methyl]-1-prop-2-enylcyclopent-2-en-1-ol
SMILESC=CCC1(O)C=CC(C[Si](C)(O[Si](C)(CC2C=CC(O)(CC=C)C2)C(C)(C)C)C(C)(C)C)C1
InChIInChI=1S/C28H50O3Si2/c1-11-15-27(29)17-13-23(19-27)21-32(9,25(3,4)5)31-33(10,26(6,7)8)22-24-14-18-28(30,20-24)16-12-2/h11-14,17-18,23-24,29-30H,1-2,15-16,19-22H2,3-10H3
InChIKeyWGWPVGNCVYAAOI-UHFFFAOYSA-N
XLogP7.52
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.88
LogP ≤ 57.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(E,5R)-5-methyl-5-tri(propan-2-yl)silyloxyoct-2-en-1-ol
CID 11709440
2-[tert-butyl(dimethyl)silyl]oxy-1-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]cyclopent-2-en-1-ol
CID 135032019
1-[[Tert-butyl-[tert-butyl-[(1-hydroxycyclopent-2-en-1-yl)methyl]-methylsilyl]oxy-methylsilyl]methyl]cyclopent-2-en-1-ol
CID 140983527
4-[[Tert-butyl-[tert-butyl-[(3-ethyl-4-hydroxy-4-methylcyclopent-2-en-1-yl)methyl]-methylsilyl]oxy-methylsilyl]methyl]-2-ethyl-1-methylcyclopent-2-en-1-ol
CID 142626650
4-[[Tert-butyl-[tert-butyl-[(4-hydroxy-4-methyl-3-prop-2-enylcyclopent-2-en-1-yl)methyl]-methylsilyl]oxy-methylsilyl]methyl]-1-methyl-2-prop-2-enylcyclopent-2-en-1-ol
CID 142626651
(2E,4R,5S,6E,8S)-8-[tert-butyl(dimethyl)silyl]oxy-5-ethyl-3,7-dimethylundeca-2,6,10-trien-4-ol
CID 157242268
(1R,2S,6R)-2-[[[[(1R,2S,6R)-1-hydroxy-2-bicyclo[4.2.0]octa-4,7-dienyl]methyl-dimethylsilyl]oxy-dimethylsilyl]methyl]bicyclo[4.2.0]octa-4,7-dien-1-ol
CID 10894709
(3S,4S,5E,7S,8R,9E)-8-[tert-butyl(dimethyl)silyl]oxy-7-ethyl-3,5,9-trimethylundeca-1,5,9-trien-4-ol
CID 25209601
(1R,2S,6R)-2-[[dimethyl(trimethylsilyloxy)silyl]methyl]bicyclo[4.2.0]octa-4,7-dien-1-ol
CID 101056018

Frequently Asked Questions

What is the IUPAC name of 4-[[tert-butyl-[tert-butyl-[(4-hydroxy-4-prop-2-enylcyclopent-2-en-1-yl)methyl]-methylsilyl]oxy-methylsilyl]methyl]-1-prop-2-enylcyclopent-2-en-1-ol?
The IUPAC name of 4-[[tert-butyl-[tert-butyl-[(4-hydroxy-4-prop-2-enylcyclopent-2-en-1-yl)methyl]-methylsilyl]oxy-methylsilyl]methyl]-1-prop-2-enylcyclopent-2-en-1-ol (CID 142626661) is 4-[[tert-butyl-[tert-butyl-[(4-hydroxy-4-prop-2-enylcyclopent-2-en-1-yl)methyl]-methylsilyl]oxy-methylsilyl]methyl]-1-prop-2-enylcyclopent-2-en-1-ol.
What is the SMILES notation for 4-[[tert-butyl-[tert-butyl-[(4-hydroxy-4-prop-2-enylcyclopent-2-en-1-yl)methyl]-methylsilyl]oxy-methylsilyl]methyl]-1-prop-2-enylcyclopent-2-en-1-ol?
The canonical SMILES for 4-[[tert-butyl-[tert-butyl-[(4-hydroxy-4-prop-2-enylcyclopent-2-en-1-yl)methyl]-methylsilyl]oxy-methylsilyl]methyl]-1-prop-2-enylcyclopent-2-en-1-ol is C=CCC1(O)C=CC(C[Si](C)(O[Si](C)(CC2C=CC(O)(CC=C)C2)C(C)(C)C)C(C)(C)C)C1.
What is the InChIKey of 4-[[tert-butyl-[tert-butyl-[(4-hydroxy-4-prop-2-enylcyclopent-2-en-1-yl)methyl]-methylsilyl]oxy-methylsilyl]methyl]-1-prop-2-enylcyclopent-2-en-1-ol?
The InChIKey is WGWPVGNCVYAAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H50O3Si2/c1-11-15-27(29)17-13-23(19-27)21-32(9,25(3,4)5)31-33(10,26(6,7)8)22-24-14-18-28(30,20-24)16-12-2/h11-14,17-18,23-24,29-30H,1-2,15-16,19-22H2,3-10H3.
What are the key properties of 4-[[tert-butyl-[tert-butyl-[(4-hydroxy-4-prop-2-enylcyclopent-2-en-1-yl)methyl]-methylsilyl]oxy-methylsilyl]methyl]-1-prop-2-enylcyclopent-2-en-1-ol?
4-[[tert-butyl-[tert-butyl-[(4-hydroxy-4-prop-2-enylcyclopent-2-en-1-yl)methyl]-methylsilyl]oxy-methylsilyl]methyl]-1-prop-2-enylcyclopent-2-en-1-ol has a molecular weight of 490.88 g/mol, XLogP of 7.52, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[tert-butyl-[tert-butyl-[(4-hydroxy-4-prop-2-enylcyclopent-2-en-1-yl)methyl]-methylsilyl]oxy-methylsilyl]methyl]-1-prop-2-enylcyclopent-2-en-1-ol is sourced from PubChem (CID 142626661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).