(3E,4S,5R)-3-ethylidene-5-[1-[(3E,4S,5S)-3-ethylidene-2,2,4-trimethyloxasilolan-5-yl]ethyl]-2,2,4-trimethyloxasilolane

C18H34O2Si2 — CID 11405017

IUPAC(3E,4S,5R)-3-ethylidene-5-[1-[(3E,4S,5S)-3-ethylidene-2,2,4-trimethyloxasilolan-5-yl]ethyl]-2,2,4-trimethyloxasilolane
SMILESC/C=C1\[C@@H](C)[C@@H](C(C)[C@@H]2O[Si](C)(C)/C(=C/C)[C@H]2C)O[Si]1(C)C
InChIInChI=1S/C18H34O2Si2/c1-10-15-12(3)17(19-21(15,6)7)14(5)18-13(4)16(11-2)22(8,9)20-18/h10-14,17-18H,1-9H3/b15-10+,16-11+/t12-,13-,14?,17-,18+/m1/s1
InChIKeyGFUUTCDPZOADEO-BTGGGRHUSA-N
MW338.64 g/mol
LogP5.07
Rot. Bonds2

About (3E,4S,5R)-3-ethylidene-5-[1-[(3E,4S,5S)-3-ethylidene-2,2,4-trimethyloxasilolan-5-yl]ethyl]-2,2,4-trimethyloxasilolane

(3E,4S,5R)-3-ethylidene-5-[1-[(3E,4S,5S)-3-ethylidene-2,2,4-trimethyloxasilolan-5-yl]ethyl]-2,2,4-trimethyloxasilolane (PubChem CID 11405017) has the molecular formula C18H34O2Si2 and a molecular weight of 338.64 g/mol. Its IUPAC name is (3E,4S,5R)-3-ethylidene-5-[1-[(3E,4S,5S)-3-ethylidene-2,2,4-trimethyloxasilolan-5-yl]ethyl]-2,2,4-trimethyloxasilolane.

Molecular Properties

Compound Name(3E,4S,5R)-3-ethylidene-5-[1-[(3E,4S,5S)-3-ethylidene-2,2,4-trimethyloxasilolan-5-yl]ethyl]-2,2,4-trimethyloxasilolane
PubChem CID11405017
Molecular FormulaC18H34O2Si2
Molecular Weight338.64 g/mol
Exact Mass338.21
IUPAC Name(3E,4S,5R)-3-ethylidene-5-[1-[(3E,4S,5S)-3-ethylidene-2,2,4-trimethyloxasilolan-5-yl]ethyl]-2,2,4-trimethyloxasilolane
SMILESC/C=C1\[C@@H](C)[C@@H](C(C)[C@@H]2O[Si](C)(C)/C(=C/C)[C@H]2C)O[Si]1(C)C
InChIInChI=1S/C18H34O2Si2/c1-10-15-12(3)17(19-21(15,6)7)14(5)18-13(4)16(11-2)22(8,9)20-18/h10-14,17-18H,1-9H3/b15-10+,16-11+/t12-,13-,14?,17-,18+/m1/s1
InChIKeyGFUUTCDPZOADEO-BTGGGRHUSA-N
XLogP5.07
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.64
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3E,4S,5R)-3-ethylidene-5-[1-[(3E,4S,5S)-3-ethylidene-2,2,4-trimethyloxasilolan-5-yl]ethyl]-2,2,4-trimethyloxasilolane with MolForge

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Related Compounds

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CID 57260753
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CID 70430781
tert-butyl-[(E,1S,2R,3S,4R)-1-ethyl-2,4-dimethyl-3-trimethylsilyloxyhept-5-enoxy]-dimethylsilane
CID 11122276
[(E,1R,2S,3S,4R)-1-[(2R)-butan-2-yl]-3-[tert-butyl(dimethyl)silyl]oxy-6-iodo-2,4-dimethylhept-5-enoxy]-tri(propan-2-yl)silane
CID 11204271
[(2S)-2-[(3Z,4R,5S)-4-methyl-3-pentylidene-2,2-di(propan-2-yl)oxasilolan-5-yl]propoxy]-tri(propan-2-yl)silane
CID 11397220
[(1S)-1-[(1S)-cyclopent-2-en-1-yl]propoxy]-tri(propan-2-yl)silane
CID 11403319
tert-butyl-dimethyl-[(1R,2R)-2-prop-2-enyl-4-trimethylsilyloxycyclopent-3-en-1-yl]oxysilane
CID 11427377
tert-butyl-[(1R,2S,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylcyclohex-3-en-1-yl]oxy-dimethylsilane
CID 60145866
tert-butyl-[(1R,2R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylcyclohex-3-en-1-yl]oxy-dimethylsilane
CID 60145868
[(4R,5S,7E,9R)-9-[(4R,6R)-2,2-ditert-butyl-6-methyl-1,3,2-dioxasilinan-4-yl]-5,7-dimethyldeca-1,7-dien-4-yl]oxy-triethylsilane
CID 71605304
triethyl-[(E,4R,5S,6S,7R,8R)-2-iodo-4,6,8-trimethyl-7-tri(propan-2-yl)silyloxydec-2-en-5-yl]oxysilane
CID 101732049
[(2S)-2-[(3E,4S,5S)-4-methyl-3-pentylidene-2,2-di(propan-2-yl)oxasilolan-5-yl]propoxy]-tri(propan-2-yl)silane
CID 101732309

Frequently Asked Questions

What is the IUPAC name of (3E,4S,5R)-3-ethylidene-5-[1-[(3E,4S,5S)-3-ethylidene-2,2,4-trimethyloxasilolan-5-yl]ethyl]-2,2,4-trimethyloxasilolane?
The IUPAC name of (3E,4S,5R)-3-ethylidene-5-[1-[(3E,4S,5S)-3-ethylidene-2,2,4-trimethyloxasilolan-5-yl]ethyl]-2,2,4-trimethyloxasilolane (CID 11405017) is (3E,4S,5R)-3-ethylidene-5-[1-[(3E,4S,5S)-3-ethylidene-2,2,4-trimethyloxasilolan-5-yl]ethyl]-2,2,4-trimethyloxasilolane.
What is the SMILES notation for (3E,4S,5R)-3-ethylidene-5-[1-[(3E,4S,5S)-3-ethylidene-2,2,4-trimethyloxasilolan-5-yl]ethyl]-2,2,4-trimethyloxasilolane?
The canonical SMILES for (3E,4S,5R)-3-ethylidene-5-[1-[(3E,4S,5S)-3-ethylidene-2,2,4-trimethyloxasilolan-5-yl]ethyl]-2,2,4-trimethyloxasilolane is C/C=C1\[C@@H](C)[C@@H](C(C)[C@@H]2O[Si](C)(C)/C(=C/C)[C@H]2C)O[Si]1(C)C.
What is the InChIKey of (3E,4S,5R)-3-ethylidene-5-[1-[(3E,4S,5S)-3-ethylidene-2,2,4-trimethyloxasilolan-5-yl]ethyl]-2,2,4-trimethyloxasilolane?
The InChIKey is GFUUTCDPZOADEO-BTGGGRHUSA-N. The full InChI is InChI=1S/C18H34O2Si2/c1-10-15-12(3)17(19-21(15,6)7)14(5)18-13(4)16(11-2)22(8,9)20-18/h10-14,17-18H,1-9H3/b15-10+,16-11+/t12-,13-,14?,17-,18+/m1/s1.
What are the key properties of (3E,4S,5R)-3-ethylidene-5-[1-[(3E,4S,5S)-3-ethylidene-2,2,4-trimethyloxasilolan-5-yl]ethyl]-2,2,4-trimethyloxasilolane?
(3E,4S,5R)-3-ethylidene-5-[1-[(3E,4S,5S)-3-ethylidene-2,2,4-trimethyloxasilolan-5-yl]ethyl]-2,2,4-trimethyloxasilolane has a molecular weight of 338.64 g/mol, XLogP of 5.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,4S,5R)-3-ethylidene-5-[1-[(3E,4S,5S)-3-ethylidene-2,2,4-trimethyloxasilolan-5-yl]ethyl]-2,2,4-trimethyloxasilolane is sourced from PubChem (CID 11405017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).