tert-butyl-[6-[(Z)-3-methoxy-1-trimethylsilylprop-1-enyl]cyclohexen-1-yl]oxy-dimethylsilane

C19H38O2Si2 — CID 100957897

IUPACtert-butyl-[6-[(Z)-3-methoxy-1-trimethylsilylprop-1-enyl]cyclohexen-1-yl]oxy-dimethylsilane
SMILESCOC/C=C(/C1CCCC=C1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C
InChIInChI=1S/C19H38O2Si2/c1-19(2,3)23(8,9)21-17-13-11-10-12-16(17)18(14-15-20-4)22(5,6)7/h13-14,16H,10-12,15H2,1-9H3/b18-14-
InChIKeyDRPHIMRUMMOANE-JXAWBTAJSA-N
MW354.68 g/mol
LogP6.14
Rot. Bonds6

About tert-butyl-[6-[(Z)-3-methoxy-1-trimethylsilylprop-1-enyl]cyclohexen-1-yl]oxy-dimethylsilane

tert-butyl-[6-[(Z)-3-methoxy-1-trimethylsilylprop-1-enyl]cyclohexen-1-yl]oxy-dimethylsilane (PubChem CID 100957897) has the molecular formula C19H38O2Si2 and a molecular weight of 354.68 g/mol. Its IUPAC name is tert-butyl-[6-[(Z)-3-methoxy-1-trimethylsilylprop-1-enyl]cyclohexen-1-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[6-[(Z)-3-methoxy-1-trimethylsilylprop-1-enyl]cyclohexen-1-yl]oxy-dimethylsilane
PubChem CID100957897
Molecular FormulaC19H38O2Si2
Molecular Weight354.68 g/mol
Exact Mass354.24
IUPAC Nametert-butyl-[6-[(Z)-3-methoxy-1-trimethylsilylprop-1-enyl]cyclohexen-1-yl]oxy-dimethylsilane
SMILESCOC/C=C(/C1CCCC=C1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C
InChIInChI=1S/C19H38O2Si2/c1-19(2,3)23(8,9)21-17-13-11-10-12-16(17)18(14-15-20-4)22(5,6)7/h13-14,16H,10-12,15H2,1-9H3/b18-14-
InChIKeyDRPHIMRUMMOANE-JXAWBTAJSA-N
XLogP6.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.68
LogP ≤ 56.14
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

trimethyl-[(3R,5R)-5-methyl-3-[(E)-4-tri(propan-2-yl)silyloxybut-2-en-2-yl]cyclohexen-1-yl]oxysilane
CID 11774244
(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopenten-1-olate
CID 135046756
Tert-butyl-dimethyl-[(2-trimethylsilyloxycyclohex-2-en-1-yl)methoxy]silane
CID 19379293
tert-butyl-[[(3Z,5R,6S,7S,8E)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-yl]oxy]-dimethylsilane
CID 57586757
tert-butyl-[(3R,4S,5R,6Z)-8-hept-6-enoxy-3-methoxy-5,7-dimethylocta-1,6-dien-4-yl]oxy-dimethylsilane
CID 57586781
trimethyl-[(5R)-5-methyl-3-[(E)-4-tri(propan-2-yl)silyloxybut-2-en-2-yl]cyclohexen-1-yl]oxysilane
CID 58601700
tert-butyl-[(3S,4S,5R,6Z)-8-hept-6-enoxy-3-methoxy-5,7-dimethylocta-1,6-dien-4-yl]oxy-dimethylsilane
CID 88399266
tert-butyl-[(3S,4S,5R)-8-hept-6-enoxy-3-methoxy-5,7-dimethylocta-1,6-dien-4-yl]oxy-dimethylsilane
CID 91054384
trimethyl-[(5R)-5-methyl-3-[4-tri(propan-2-yl)silyloxybut-2-en-2-yl]cyclohexen-1-yl]oxysilane
CID 91379116
tert-butyl-[[(5R,6S,7S)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-yl]oxy]-dimethylsilane
CID 91589611
[(1R,4S,6S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-yl]methoxy-tert-butyl-dimethylsilane
CID 10672598
tert-butyl-dimethyl-[2-[(2R,6R)-2-[(2S)-2-methyl-4-(trimethylsilylmethyl)pent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]ethoxy]silane
CID 11154128

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[6-[(Z)-3-methoxy-1-trimethylsilylprop-1-enyl]cyclohexen-1-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[6-[(Z)-3-methoxy-1-trimethylsilylprop-1-enyl]cyclohexen-1-yl]oxy-dimethylsilane (CID 100957897) is tert-butyl-[6-[(Z)-3-methoxy-1-trimethylsilylprop-1-enyl]cyclohexen-1-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[6-[(Z)-3-methoxy-1-trimethylsilylprop-1-enyl]cyclohexen-1-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[6-[(Z)-3-methoxy-1-trimethylsilylprop-1-enyl]cyclohexen-1-yl]oxy-dimethylsilane is COC/C=C(/C1CCCC=C1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C.
What is the InChIKey of tert-butyl-[6-[(Z)-3-methoxy-1-trimethylsilylprop-1-enyl]cyclohexen-1-yl]oxy-dimethylsilane?
The InChIKey is DRPHIMRUMMOANE-JXAWBTAJSA-N. The full InChI is InChI=1S/C19H38O2Si2/c1-19(2,3)23(8,9)21-17-13-11-10-12-16(17)18(14-15-20-4)22(5,6)7/h13-14,16H,10-12,15H2,1-9H3/b18-14-.
What are the key properties of tert-butyl-[6-[(Z)-3-methoxy-1-trimethylsilylprop-1-enyl]cyclohexen-1-yl]oxy-dimethylsilane?
tert-butyl-[6-[(Z)-3-methoxy-1-trimethylsilylprop-1-enyl]cyclohexen-1-yl]oxy-dimethylsilane has a molecular weight of 354.68 g/mol, XLogP of 6.14, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[6-[(Z)-3-methoxy-1-trimethylsilylprop-1-enyl]cyclohexen-1-yl]oxy-dimethylsilane is sourced from PubChem (CID 100957897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).