tert-butyl-[(1R,2Z,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-chloro-2-prop-2-enylidenecyclopent-3-en-1-yl]oxy-dimethylsilane

C20H37ClO2Si2 — CID 101386922

IUPACtert-butyl-[(1R,2Z,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-chloro-2-prop-2-enylidenecyclopent-3-en-1-yl]oxy-dimethylsilane
SMILESC=C/C=C1\C(Cl)=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H37ClO2Si2/c1-12-13-15-16(21)14-17(22-24(8,9)19(2,3)4)18(15)23-25(10,11)20(5,6)7/h12-14,17-18H,1H2,2-11H3/b15-13+/t17-,18-/m1/s1
InChIKeyVEAHUFCFFFOLHJ-ZWOQHNGQSA-N
MW401.14 g/mol
LogP7.02
Rot. Bonds5

About tert-butyl-[(1R,2Z,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-chloro-2-prop-2-enylidenecyclopent-3-en-1-yl]oxy-dimethylsilane

tert-butyl-[(1R,2Z,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-chloro-2-prop-2-enylidenecyclopent-3-en-1-yl]oxy-dimethylsilane (PubChem CID 101386922) has the molecular formula C20H37ClO2Si2 and a molecular weight of 401.14 g/mol. Its IUPAC name is tert-butyl-[(1R,2Z,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-chloro-2-prop-2-enylidenecyclopent-3-en-1-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1R,2Z,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-chloro-2-prop-2-enylidenecyclopent-3-en-1-yl]oxy-dimethylsilane
PubChem CID101386922
Molecular FormulaC20H37ClO2Si2
Molecular Weight401.14 g/mol
Exact Mass400.20
IUPAC Nametert-butyl-[(1R,2Z,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-chloro-2-prop-2-enylidenecyclopent-3-en-1-yl]oxy-dimethylsilane
SMILESC=C/C=C1\C(Cl)=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H37ClO2Si2/c1-12-13-15-16(21)14-17(22-24(8,9)19(2,3)4)18(15)23-25(10,11)20(5,6)7/h12-14,17-18H,1H2,2-11H3/b15-13+/t17-,18-/m1/s1
InChIKeyVEAHUFCFFFOLHJ-ZWOQHNGQSA-N
XLogP7.02
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.14
LogP ≤ 57.02
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

(4Z)-2-chloro-5-[(5R)-5-tri(propan-2-yl)silyloxycyclopenten-1-yl]penta-1,4-dien-1-one
CID 134874259
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CID 11047069
tert-butyl-[(1R,2Z,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-chloro-2-prop-2-ynylidenecyclopent-3-en-1-yl]oxy-dimethylsilane
CID 11589381
tert-butyl-[(1S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohexa-2,4-dien-1-yl]oxy-dimethylsilane
CID 16105071
[(1R,2R)-1-(2-chlorocyclohexa-1,5-dien-1-yl)-1-trimethylsilyloxypropan-2-yl]oxy-trimethylsilane
CID 90435946
[(E)-6-chloro-5-[(E)-1-chloroprop-1-enyl]-4-trimethylsilyloxyoct-5-en-3-yl]oxy-trimethylsilane
CID 90436051
[(Z,4Z)-4-(1-chloroethylidene)-2-trimethylsilyloxyhept-5-en-3-yl]oxy-trimethylsilane
CID 90436493
[(Z,2S,3R,4Z)-4-(1-chloroethylidene)-2-trimethylsilyloxyhept-5-en-3-yl]oxy-trimethylsilane
CID 90436672
[(4S,5E)-7-chloro-2-(tributylstannylmethyl)octa-1,5,7-trien-4-yl]oxy-triethylsilane
CID 11307699
[(4S,5E)-7-chloro-2-(triethylstannylmethyl)octa-1,5,7-trien-4-yl]oxy-trimethylsilane
CID 11408310
[(4S,5E)-7-chloro-2-(tributylstannylmethyl)octa-1,5,7-trien-4-yl]oxy-trimethylsilane
CID 11785928
tert-butyl-[(1R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohexa-2,4-dien-1-yl]oxy-dimethylsilane
CID 16105076

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1R,2Z,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-chloro-2-prop-2-enylidenecyclopent-3-en-1-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(1R,2Z,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-chloro-2-prop-2-enylidenecyclopent-3-en-1-yl]oxy-dimethylsilane (CID 101386922) is tert-butyl-[(1R,2Z,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-chloro-2-prop-2-enylidenecyclopent-3-en-1-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1R,2Z,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-chloro-2-prop-2-enylidenecyclopent-3-en-1-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(1R,2Z,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-chloro-2-prop-2-enylidenecyclopent-3-en-1-yl]oxy-dimethylsilane is C=C/C=C1\C(Cl)=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(1R,2Z,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-chloro-2-prop-2-enylidenecyclopent-3-en-1-yl]oxy-dimethylsilane?
The InChIKey is VEAHUFCFFFOLHJ-ZWOQHNGQSA-N. The full InChI is InChI=1S/C20H37ClO2Si2/c1-12-13-15-16(21)14-17(22-24(8,9)19(2,3)4)18(15)23-25(10,11)20(5,6)7/h12-14,17-18H,1H2,2-11H3/b15-13+/t17-,18-/m1/s1.
What are the key properties of tert-butyl-[(1R,2Z,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-chloro-2-prop-2-enylidenecyclopent-3-en-1-yl]oxy-dimethylsilane?
tert-butyl-[(1R,2Z,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-chloro-2-prop-2-enylidenecyclopent-3-en-1-yl]oxy-dimethylsilane has a molecular weight of 401.14 g/mol, XLogP of 7.02, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1R,2Z,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-chloro-2-prop-2-enylidenecyclopent-3-en-1-yl]oxy-dimethylsilane is sourced from PubChem (CID 101386922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).