tri(propan-2-yl)-[(1S,2R,5R)-2-prop-1-en-2-yl-5-[(2R,5Z)-5-[(4Z)-4-[(6R)-6-[(1R,2S,3R)-3-prop-1-en-2-yl-2-tri(propan-2-yl)silyloxycyclopentyl]oxan-3-ylidene]butylidene]oxan-2-yl]cyclopentyl]oxysilane

C48H86O4Si2 — CID 11274317

IUPACtri(propan-2-yl)-[(1S,2R,5R)-2-prop-1-en-2-yl-5-[(2R,5Z)-5-[(4Z)-4-[(6R)-6-[(1R,2S,3R)-3-prop-1-en-2-yl-2-tri(propan-2-yl)silyloxycyclopentyl]oxan-3-ylidene]butylidene]oxan-2-yl]cyclopentyl]oxysilane
SMILESC=C(C)[C@H]1CC[C@H]([C@H]2CC/C(=C/CC/C=C3/CC[C@H]([C@H]4CC[C@H](C(=C)C)[C@@H]4O[Si](C(C)C)(C(C)C)C(C)C)OC3)CO2)[C@H]1O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C48H86O4Si2/c1-31(2)41-23-25-43(47(41)51-53(33(5)6,34(7)8)35(9)10)45-27-21-39(29-49-45)19-17-18-20-40-22-28-46(50-30-40)44-26-24-42(32(3)4)48(44)52-54(36(11)12,37(13)14)38(15)16/h19-20,33-38,41-48H,1,3,17-18,21-30H2,2,4-16H3/b39-19-,40-20-/t41-,42-,43-,44-,45-,46-,47+,48+/m1/s1
InChIKeyYCNATXKAORDBQC-LKSPHKNBSA-N
MW783.38 g/mol
LogP14.30
Rot. Bonds17

About tri(propan-2-yl)-[(1S,2R,5R)-2-prop-1-en-2-yl-5-[(2R,5Z)-5-[(4Z)-4-[(6R)-6-[(1R,2S,3R)-3-prop-1-en-2-yl-2-tri(propan-2-yl)silyloxycyclopentyl]oxan-3-ylidene]butylidene]oxan-2-yl]cyclopentyl]oxysilane

tri(propan-2-yl)-[(1S,2R,5R)-2-prop-1-en-2-yl-5-[(2R,5Z)-5-[(4Z)-4-[(6R)-6-[(1R,2S,3R)-3-prop-1-en-2-yl-2-tri(propan-2-yl)silyloxycyclopentyl]oxan-3-ylidene]butylidene]oxan-2-yl]cyclopentyl]oxysilane (PubChem CID 11274317) has the molecular formula C48H86O4Si2 and a molecular weight of 783.38 g/mol. Its IUPAC name is tri(propan-2-yl)-[(1S,2R,5R)-2-prop-1-en-2-yl-5-[(2R,5Z)-5-[(4Z)-4-[(6R)-6-[(1R,2S,3R)-3-prop-1-en-2-yl-2-tri(propan-2-yl)silyloxycyclopentyl]oxan-3-ylidene]butylidene]oxan-2-yl]cyclopentyl]oxysilane.

Molecular Properties

Compound Nametri(propan-2-yl)-[(1S,2R,5R)-2-prop-1-en-2-yl-5-[(2R,5Z)-5-[(4Z)-4-[(6R)-6-[(1R,2S,3R)-3-prop-1-en-2-yl-2-tri(propan-2-yl)silyloxycyclopentyl]oxan-3-ylidene]butylidene]oxan-2-yl]cyclopentyl]oxysilane
PubChem CID11274317
Molecular FormulaC48H86O4Si2
Molecular Weight783.38 g/mol
Exact Mass782.61
IUPAC Nametri(propan-2-yl)-[(1S,2R,5R)-2-prop-1-en-2-yl-5-[(2R,5Z)-5-[(4Z)-4-[(6R)-6-[(1R,2S,3R)-3-prop-1-en-2-yl-2-tri(propan-2-yl)silyloxycyclopentyl]oxan-3-ylidene]butylidene]oxan-2-yl]cyclopentyl]oxysilane
SMILESC=C(C)[C@H]1CC[C@H]([C@H]2CC/C(=C/CC/C=C3/CC[C@H]([C@H]4CC[C@H](C(=C)C)[C@@H]4O[Si](C(C)C)(C(C)C)C(C)C)OC3)CO2)[C@H]1O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C48H86O4Si2/c1-31(2)41-23-25-43(47(41)51-53(33(5)6,34(7)8)35(9)10)45-27-21-39(29-49-45)19-17-18-20-40-22-28-46(50-30-40)44-26-24-42(32(3)4)48(44)52-54(36(11)12,37(13)14)38(15)16/h19-20,33-38,41-48H,1,3,17-18,21-30H2,2,4-16H3/b39-19-,40-20-/t41-,42-,43-,44-,45-,46-,47+,48+/m1/s1
InChIKeyYCNATXKAORDBQC-LKSPHKNBSA-N
XLogP14.30
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500783.38
LogP ≤ 514.30
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'}

Analyze tri(propan-2-yl)-[(1S,2R,5R)-2-prop-1-en-2-yl-5-[(2R,5Z)-5-[(4Z)-4-[(6R)-6-[(1R,2S,3R)-3-prop-1-en-2-yl-2-tri(propan-2-yl)silyloxycyclopentyl]oxan-3-ylidene]butylidene]oxan-2-yl]cyclopentyl]oxysilane with MolForge

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Launch Full Analysis

Related Compounds

(2Z)-2-[(6R)-6-[(1R,2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-1-en-2-ylcyclopentyl]oxan-3-ylidene]ethanol
CID 10595091
[(1S,2R,5S)-2-[(2R,5Z)-5-(2-bromoethylidene)oxan-2-yl]-5-prop-1-en-2-ylcyclopentyl]oxy-tert-butyl-dimethylsilane
CID 10693888
tert-butyl-[(1S,2R,5S)-2-[(2R,5Z)-5-[(4Z)-4-[(6R)-6-[(1R,2S,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-1-en-2-ylcyclopentyl]oxan-3-ylidene]butylidene]oxan-2-yl]-5-prop-1-en-2-ylcyclopentyl]oxy-dimethylsilane
CID 10770979
(2Z)-2-[(6R)-6-[(1R,2S,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-1-en-2-ylcyclopentyl]oxan-3-ylidene]ethanol
CID 11372032
[(1S,2R,5R)-2-[(2R,5Z)-5-(2-bromoethylidene)oxan-2-yl]-5-prop-1-en-2-ylcyclopentyl]oxy-tert-butyl-dimethylsilane
CID 11464555
tert-butyl-[(1R,2R)-2-[(2R,5Z)-5-[(4E)-4-[(6R)-6-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-ylidenecyclopentyl]oxan-3-ylidene]butylidene]oxan-2-yl]-5-propan-2-ylidenecyclopentyl]oxy-dimethylsilane
CID 101096073
(2E)-2-[(6S)-6-[(1R,2S,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-1-en-2-ylcyclopentyl]oxan-3-ylidene]ethanol
CID 177419174
(2E)-2-[(6R)-6-[(1R,2S,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-1-en-2-ylcyclopentyl]oxan-3-ylidene]ethanol
CID 177483064

Frequently Asked Questions

What is the IUPAC name of tri(propan-2-yl)-[(1S,2R,5R)-2-prop-1-en-2-yl-5-[(2R,5Z)-5-[(4Z)-4-[(6R)-6-[(1R,2S,3R)-3-prop-1-en-2-yl-2-tri(propan-2-yl)silyloxycyclopentyl]oxan-3-ylidene]butylidene]oxan-2-yl]cyclopentyl]oxysilane?
The IUPAC name of tri(propan-2-yl)-[(1S,2R,5R)-2-prop-1-en-2-yl-5-[(2R,5Z)-5-[(4Z)-4-[(6R)-6-[(1R,2S,3R)-3-prop-1-en-2-yl-2-tri(propan-2-yl)silyloxycyclopentyl]oxan-3-ylidene]butylidene]oxan-2-yl]cyclopentyl]oxysilane (CID 11274317) is tri(propan-2-yl)-[(1S,2R,5R)-2-prop-1-en-2-yl-5-[(2R,5Z)-5-[(4Z)-4-[(6R)-6-[(1R,2S,3R)-3-prop-1-en-2-yl-2-tri(propan-2-yl)silyloxycyclopentyl]oxan-3-ylidene]butylidene]oxan-2-yl]cyclopentyl]oxysilane.
What is the SMILES notation for tri(propan-2-yl)-[(1S,2R,5R)-2-prop-1-en-2-yl-5-[(2R,5Z)-5-[(4Z)-4-[(6R)-6-[(1R,2S,3R)-3-prop-1-en-2-yl-2-tri(propan-2-yl)silyloxycyclopentyl]oxan-3-ylidene]butylidene]oxan-2-yl]cyclopentyl]oxysilane?
The canonical SMILES for tri(propan-2-yl)-[(1S,2R,5R)-2-prop-1-en-2-yl-5-[(2R,5Z)-5-[(4Z)-4-[(6R)-6-[(1R,2S,3R)-3-prop-1-en-2-yl-2-tri(propan-2-yl)silyloxycyclopentyl]oxan-3-ylidene]butylidene]oxan-2-yl]cyclopentyl]oxysilane is C=C(C)[C@H]1CC[C@H]([C@H]2CC/C(=C/CC/C=C3/CC[C@H]([C@H]4CC[C@H](C(=C)C)[C@@H]4O[Si](C(C)C)(C(C)C)C(C)C)OC3)CO2)[C@H]1O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of tri(propan-2-yl)-[(1S,2R,5R)-2-prop-1-en-2-yl-5-[(2R,5Z)-5-[(4Z)-4-[(6R)-6-[(1R,2S,3R)-3-prop-1-en-2-yl-2-tri(propan-2-yl)silyloxycyclopentyl]oxan-3-ylidene]butylidene]oxan-2-yl]cyclopentyl]oxysilane?
The InChIKey is YCNATXKAORDBQC-LKSPHKNBSA-N. The full InChI is InChI=1S/C48H86O4Si2/c1-31(2)41-23-25-43(47(41)51-53(33(5)6,34(7)8)35(9)10)45-27-21-39(29-49-45)19-17-18-20-40-22-28-46(50-30-40)44-26-24-42(32(3)4)48(44)52-54(36(11)12,37(13)14)38(15)16/h19-20,33-38,41-48H,1,3,17-18,21-30H2,2,4-16H3/b39-19-,40-20-/t41-,42-,43-,44-,45-,46-,47+,48+/m1/s1.
What are the key properties of tri(propan-2-yl)-[(1S,2R,5R)-2-prop-1-en-2-yl-5-[(2R,5Z)-5-[(4Z)-4-[(6R)-6-[(1R,2S,3R)-3-prop-1-en-2-yl-2-tri(propan-2-yl)silyloxycyclopentyl]oxan-3-ylidene]butylidene]oxan-2-yl]cyclopentyl]oxysilane?
tri(propan-2-yl)-[(1S,2R,5R)-2-prop-1-en-2-yl-5-[(2R,5Z)-5-[(4Z)-4-[(6R)-6-[(1R,2S,3R)-3-prop-1-en-2-yl-2-tri(propan-2-yl)silyloxycyclopentyl]oxan-3-ylidene]butylidene]oxan-2-yl]cyclopentyl]oxysilane has a molecular weight of 783.38 g/mol, XLogP of 14.30, 17 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tri(propan-2-yl)-[(1S,2R,5R)-2-prop-1-en-2-yl-5-[(2R,5Z)-5-[(4Z)-4-[(6R)-6-[(1R,2S,3R)-3-prop-1-en-2-yl-2-tri(propan-2-yl)silyloxycyclopentyl]oxan-3-ylidene]butylidene]oxan-2-yl]cyclopentyl]oxysilane is sourced from PubChem (CID 11274317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).