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

C20H35ClO2Si2 — CID 11589381

IUPACtert-butyl-[(1R,2Z,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-chloro-2-prop-2-ynylidenecyclopent-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/C20H35ClO2Si2/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/h1,13-14,17-18H,2-11H3/b15-13+/t17-,18-/m1/s1
InChIKeyNUQUYDGCCFFWGC-ZWOQHNGQSA-N
MW399.12 g/mol
LogP6.46
Rot. Bonds4

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

tert-butyl-[(1R,2Z,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-chloro-2-prop-2-ynylidenecyclopent-3-en-1-yl]oxy-dimethylsilane (PubChem CID 11589381) has the molecular formula C20H35ClO2Si2 and a molecular weight of 399.12 g/mol. Its IUPAC name is tert-butyl-[(1R,2Z,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-chloro-2-prop-2-ynylidenecyclopent-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-ynylidenecyclopent-3-en-1-yl]oxy-dimethylsilane
PubChem CID11589381
Molecular FormulaC20H35ClO2Si2
Molecular Weight399.12 g/mol
Exact Mass398.19
IUPAC Nametert-butyl-[(1R,2Z,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-chloro-2-prop-2-ynylidenecyclopent-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/C20H35ClO2Si2/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/h1,13-14,17-18H,2-11H3/b15-13+/t17-,18-/m1/s1
InChIKeyNUQUYDGCCFFWGC-ZWOQHNGQSA-N
XLogP6.46
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.12
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(3R,4R,5E)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-prop-2-ynylidenecyclopenten-1-yl]ethynyl-trimethylsilane
CID 11496309
tert-butyl-[(1R,2Z,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-chloro-2-(4,4-diethoxybut-2-ynylidene)cyclopent-3-en-1-yl]oxy-dimethylsilane
CID 11605764
[(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
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
tert-butyl-[(3R,4R,5E,7E)-4-[tert-butyl(dimethyl)silyl]oxydeca-5,7-dien-9-yn-3-yl]oxy-dimethylsilane
CID 101575519
tert-butyl-[(3S,4S,5E,7E)-4-[tert-butyl(dimethyl)silyl]oxydeca-5,7-dien-9-yn-3-yl]oxy-dimethylsilane
CID 101575520
tert-butyl-[(3S,4R,5E,7E)-4-[tert-butyl(dimethyl)silyl]oxydeca-5,7-dien-9-yn-3-yl]oxy-dimethylsilane
CID 101575521
tert-butyl-[(3R,4S,5E,7E)-4-[tert-butyl(dimethyl)silyl]oxydeca-5,7-dien-9-yn-3-yl]oxy-dimethylsilane
CID 101575522

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-ynylidenecyclopent-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-ynylidenecyclopent-3-en-1-yl]oxy-dimethylsilane (CID 11589381) is tert-butyl-[(1R,2Z,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-chloro-2-prop-2-ynylidenecyclopent-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-ynylidenecyclopent-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-ynylidenecyclopent-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-ynylidenecyclopent-3-en-1-yl]oxy-dimethylsilane?
The InChIKey is NUQUYDGCCFFWGC-ZWOQHNGQSA-N. The full InChI is InChI=1S/C20H35ClO2Si2/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/h1,13-14,17-18H,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-ynylidenecyclopent-3-en-1-yl]oxy-dimethylsilane?
tert-butyl-[(1R,2Z,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-chloro-2-prop-2-ynylidenecyclopent-3-en-1-yl]oxy-dimethylsilane has a molecular weight of 399.12 g/mol, XLogP of 6.46, 4 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-ynylidenecyclopent-3-en-1-yl]oxy-dimethylsilane is sourced from PubChem (CID 11589381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).