tert-butyl-[(1R,2E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-butylidene-3-methylidenecyclopentyl]oxy-dimethylsilane

C22H44O2Si2 — CID 102472548

IUPACtert-butyl-[(1R,2E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-butylidene-3-methylidenecyclopentyl]oxy-dimethylsilane
SMILESC=C1/C(=C\CCC)[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H44O2Si2/c1-13-14-15-18-17(2)19(23-25(9,10)21(3,4)5)16-20(18)24-26(11,12)22(6,7)8/h15,19-20H,2,13-14,16H2,1,3-12H3/b18-15+/t19-,20+/m0/s1
InChIKeyMVTDEKVMXKIWML-MSLZVHJSSA-N
MW396.76 g/mol
LogP7.45
Rot. Bonds6

About tert-butyl-[(1R,2E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-butylidene-3-methylidenecyclopentyl]oxy-dimethylsilane

tert-butyl-[(1R,2E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-butylidene-3-methylidenecyclopentyl]oxy-dimethylsilane (PubChem CID 102472548) has the molecular formula C22H44O2Si2 and a molecular weight of 396.76 g/mol. Its IUPAC name is tert-butyl-[(1R,2E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-butylidene-3-methylidenecyclopentyl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1R,2E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-butylidene-3-methylidenecyclopentyl]oxy-dimethylsilane
PubChem CID102472548
Molecular FormulaC22H44O2Si2
Molecular Weight396.76 g/mol
Exact Mass396.29
IUPAC Nametert-butyl-[(1R,2E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-butylidene-3-methylidenecyclopentyl]oxy-dimethylsilane
SMILESC=C1/C(=C\CCC)[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H44O2Si2/c1-13-14-15-18-17(2)19(23-25(9,10)21(3,4)5)16-20(18)24-26(11,12)22(6,7)8/h15,19-20H,2,13-14,16H2,1,3-12H3/b18-15+/t19-,20+/m0/s1
InChIKeyMVTDEKVMXKIWML-MSLZVHJSSA-N
XLogP7.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.76
LogP ≤ 57.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2E)-2-[(3R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethanol
CID 101099401
(2Z)-2-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethanol
CID 18654178
ethyl (2E)-2-[(3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]acetate
CID 11080703
tert-butyl-(3-ethyl-2-methyl-4-methylidenecyclopent-2-en-1-yl)oxy-dimethylsilane
CID 54280344
tert-butyl-[(1R,3S,5Z)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-diphenylphosphorylethylidene)-4-methylidenecyclohexyl]oxy-dimethylsilane
CID 11124745
tert-butyl-[(1S,3Z)-3-(iodomethylidene)-2-methylidenecyclohexyl]oxy-dimethylsilane
CID 134887343
tert-butyl-[[(3E,4E)-3-butylidene-4-ethylidenecyclopentyl]methoxy]-dimethylsilane
CID 134983389
(1R,3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenebicyclo[3.1.0]hexane-1-carbaldehyde
CID 10912025
tert-butyl-[(1R,3Z,5S)-3-(2-chloroethylidene)-5-fluoro-4-methylidenecyclohexyl]oxy-dimethylsilane
CID 11243654
(2E)-2-[5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]ethanol
CID 14483735
tert-butyl-[(3Z,5S)-3-(2-chloroethylidene)-5-methyl-2-methylidenecyclohexyl]oxy-dimethylsilane;tert-butyl-[(3Z,5S)-3-(2-diphenylphosphorylethylidene)-5-methyl-2-methylidenecyclohexyl]oxy-dimethylsilane
CID 54455919
methyl 2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylidenecyclohexylidene]acetate
CID 10622375

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1R,2E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-butylidene-3-methylidenecyclopentyl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(1R,2E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-butylidene-3-methylidenecyclopentyl]oxy-dimethylsilane (CID 102472548) is tert-butyl-[(1R,2E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-butylidene-3-methylidenecyclopentyl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1R,2E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-butylidene-3-methylidenecyclopentyl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(1R,2E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-butylidene-3-methylidenecyclopentyl]oxy-dimethylsilane is C=C1/C(=C\CCC)[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(1R,2E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-butylidene-3-methylidenecyclopentyl]oxy-dimethylsilane?
The InChIKey is MVTDEKVMXKIWML-MSLZVHJSSA-N. The full InChI is InChI=1S/C22H44O2Si2/c1-13-14-15-18-17(2)19(23-25(9,10)21(3,4)5)16-20(18)24-26(11,12)22(6,7)8/h15,19-20H,2,13-14,16H2,1,3-12H3/b18-15+/t19-,20+/m0/s1.
What are the key properties of tert-butyl-[(1R,2E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-butylidene-3-methylidenecyclopentyl]oxy-dimethylsilane?
tert-butyl-[(1R,2E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-butylidene-3-methylidenecyclopentyl]oxy-dimethylsilane has a molecular weight of 396.76 g/mol, XLogP of 7.45, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1R,2E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-butylidene-3-methylidenecyclopentyl]oxy-dimethylsilane is sourced from PubChem (CID 102472548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).