tert-butyl-[(1S,5Z,6S)-6-ethenyl-5-(methoxymethylidene)-6-methyl-4-trimethylsilyloxycyclohex-3-en-1-yl]oxy-dimethylsilane

C20H38O3Si2 — CID 53260831

IUPACtert-butyl-[(1S,5Z,6S)-6-ethenyl-5-(methoxymethylidene)-6-methyl-4-trimethylsilyloxycyclohex-3-en-1-yl]oxy-dimethylsilane
SMILESC=C[C@@]1(C)/C(=C/OC)C(O[Si](C)(C)C)=CC[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H38O3Si2/c1-12-20(5)16(15-21-6)17(22-24(7,8)9)13-14-18(20)23-25(10,11)19(2,3)4/h12-13,15,18H,1,14H2,2-11H3/b16-15+/t18-,20-/m0/s1
InChIKeyNUFBBHZBYHOCDP-MEZSYIQSSA-N
MW382.69 g/mol
LogP6.24
Rot. Bonds6

About tert-butyl-[(1S,5Z,6S)-6-ethenyl-5-(methoxymethylidene)-6-methyl-4-trimethylsilyloxycyclohex-3-en-1-yl]oxy-dimethylsilane

tert-butyl-[(1S,5Z,6S)-6-ethenyl-5-(methoxymethylidene)-6-methyl-4-trimethylsilyloxycyclohex-3-en-1-yl]oxy-dimethylsilane (PubChem CID 53260831) has the molecular formula C20H38O3Si2 and a molecular weight of 382.69 g/mol. Its IUPAC name is tert-butyl-[(1S,5Z,6S)-6-ethenyl-5-(methoxymethylidene)-6-methyl-4-trimethylsilyloxycyclohex-3-en-1-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1S,5Z,6S)-6-ethenyl-5-(methoxymethylidene)-6-methyl-4-trimethylsilyloxycyclohex-3-en-1-yl]oxy-dimethylsilane
PubChem CID53260831
Molecular FormulaC20H38O3Si2
Molecular Weight382.69 g/mol
Exact Mass382.24
IUPAC Nametert-butyl-[(1S,5Z,6S)-6-ethenyl-5-(methoxymethylidene)-6-methyl-4-trimethylsilyloxycyclohex-3-en-1-yl]oxy-dimethylsilane
SMILESC=C[C@@]1(C)/C(=C/OC)C(O[Si](C)(C)C)=CC[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H38O3Si2/c1-12-20(5)16(15-21-6)17(22-24(7,8)9)13-14-18(20)23-25(10,11)19(2,3)4/h12-13,15,18H,1,14H2,2-11H3/b16-15+/t18-,20-/m0/s1
InChIKeyNUFBBHZBYHOCDP-MEZSYIQSSA-N
XLogP6.24
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.69
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-[(1S)-4-ethenyl-4-[(E)-3-methoxyprop-2-enyl]cyclohex-2-en-1-yl]oxy-dimethylsilane
CID 12132481
tert-butyl-[(1S,2S)-2-ethenyl-2-methyl-4-trimethylsilyloxycyclohex-3-en-1-yl]oxy-dimethylsilane
CID 14951420
[(2S,3E,7E,11S)-13-methoxy-4,8,11-trimethyl-15-methylidene-2-bicyclo[9.3.1]pentadeca-1(14),3,7,12-tetraenyl]oxy-tri(propan-2-yl)silane
CID 135070283
tert-butyl-[(1R,6S)-6-ethenyl-6-methyl-4-trimethylsilyloxycyclohex-3-en-1-yl]oxy-dimethylsilane
CID 53253587
[(2R,3R)-2,3-dimethyl-3-(4-methylpent-3-enyl)-4-(1-trimethylsilyloxyethenyl)-2H-furan-5-yl]oxy-trimethylsilane
CID 101021156
tert-butyl-[(1S,5E,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-ethenyl-5-(methoxymethylidene)-6-methylcyclohex-3-en-1-yl]oxy-dimethylsilane
CID 101799615

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1S,5Z,6S)-6-ethenyl-5-(methoxymethylidene)-6-methyl-4-trimethylsilyloxycyclohex-3-en-1-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(1S,5Z,6S)-6-ethenyl-5-(methoxymethylidene)-6-methyl-4-trimethylsilyloxycyclohex-3-en-1-yl]oxy-dimethylsilane (CID 53260831) is tert-butyl-[(1S,5Z,6S)-6-ethenyl-5-(methoxymethylidene)-6-methyl-4-trimethylsilyloxycyclohex-3-en-1-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1S,5Z,6S)-6-ethenyl-5-(methoxymethylidene)-6-methyl-4-trimethylsilyloxycyclohex-3-en-1-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(1S,5Z,6S)-6-ethenyl-5-(methoxymethylidene)-6-methyl-4-trimethylsilyloxycyclohex-3-en-1-yl]oxy-dimethylsilane is C=C[C@@]1(C)/C(=C/OC)C(O[Si](C)(C)C)=CC[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(1S,5Z,6S)-6-ethenyl-5-(methoxymethylidene)-6-methyl-4-trimethylsilyloxycyclohex-3-en-1-yl]oxy-dimethylsilane?
The InChIKey is NUFBBHZBYHOCDP-MEZSYIQSSA-N. The full InChI is InChI=1S/C20H38O3Si2/c1-12-20(5)16(15-21-6)17(22-24(7,8)9)13-14-18(20)23-25(10,11)19(2,3)4/h12-13,15,18H,1,14H2,2-11H3/b16-15+/t18-,20-/m0/s1.
What are the key properties of tert-butyl-[(1S,5Z,6S)-6-ethenyl-5-(methoxymethylidene)-6-methyl-4-trimethylsilyloxycyclohex-3-en-1-yl]oxy-dimethylsilane?
tert-butyl-[(1S,5Z,6S)-6-ethenyl-5-(methoxymethylidene)-6-methyl-4-trimethylsilyloxycyclohex-3-en-1-yl]oxy-dimethylsilane has a molecular weight of 382.69 g/mol, XLogP of 6.24, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1S,5Z,6S)-6-ethenyl-5-(methoxymethylidene)-6-methyl-4-trimethylsilyloxycyclohex-3-en-1-yl]oxy-dimethylsilane is sourced from PubChem (CID 53260831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).