tert-butyl-dimethyl-[[(1S,2R)-2-(6-methylhept-2-en-2-yl)-4-triethylsilyloxycyclohex-3-en-1-yl]methoxy]silane

C27H54O2Si2 — CID 91339819

IUPACtert-butyl-dimethyl-[[(1S,2R)-2-(6-methylhept-2-en-2-yl)-4-triethylsilyloxycyclohex-3-en-1-yl]methoxy]silane
SMILESCC[Si](CC)(CC)OC1=C[C@H](C(C)=CCCC(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C27H54O2Si2/c1-12-31(13-2,14-3)29-25-19-18-24(21-28-30(10,11)27(7,8)9)26(20-25)23(6)17-15-16-22(4)5/h17,20,22,24,26H,12-16,18-19,21H2,1-11H3/t24-,26-/m1/s1
InChIKeyRQUMAVFEDROARN-AOYPEHQESA-N
MW466.90 g/mol
LogP9.32
Rot. Bonds12

About tert-butyl-dimethyl-[[(1S,2R)-2-(6-methylhept-2-en-2-yl)-4-triethylsilyloxycyclohex-3-en-1-yl]methoxy]silane

tert-butyl-dimethyl-[[(1S,2R)-2-(6-methylhept-2-en-2-yl)-4-triethylsilyloxycyclohex-3-en-1-yl]methoxy]silane (PubChem CID 91339819) has the molecular formula C27H54O2Si2 and a molecular weight of 466.90 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[(1S,2R)-2-(6-methylhept-2-en-2-yl)-4-triethylsilyloxycyclohex-3-en-1-yl]methoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[(1S,2R)-2-(6-methylhept-2-en-2-yl)-4-triethylsilyloxycyclohex-3-en-1-yl]methoxy]silane
PubChem CID91339819
Molecular FormulaC27H54O2Si2
Molecular Weight466.90 g/mol
Exact Mass466.37
IUPAC Nametert-butyl-dimethyl-[[(1S,2R)-2-(6-methylhept-2-en-2-yl)-4-triethylsilyloxycyclohex-3-en-1-yl]methoxy]silane
SMILESCC[Si](CC)(CC)OC1=C[C@H](C(C)=CCCC(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C27H54O2Si2/c1-12-31(13-2,14-3)29-25-19-18-24(21-28-30(10,11)27(7,8)9)26(20-25)23(6)17-15-16-22(4)5/h17,20,22,24,26H,12-16,18-19,21H2,1-11H3/t24-,26-/m1/s1
InChIKeyRQUMAVFEDROARN-AOYPEHQESA-N
XLogP9.32
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.90
LogP ≤ 59.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(3S,5R)-3-buta-2,3-dien-2-yl-2-methyl-5-prop-1-en-2-ylcyclohexen-1-yl]oxy-tert-butyl-dimethylsilane
CID 11244074
trimethyl-[(3R,5R)-5-methyl-3-[(E)-4-tri(propan-2-yl)silyloxybut-2-en-2-yl]cyclohexen-1-yl]oxysilane
CID 11774244
(1R,2R)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[(2E)-6-methylhepta-2,5-dien-2-yl]-4-trimethylsilyloxycyclohex-3-en-1-ol
CID 101396371
Tert-butyl-[[6-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl]cyclohexen-1-yl]methoxy]-dimethylsilane
CID 102475884
[(3R,4R)-3-but-3-enyl-4-[tert-butyl(dimethyl)silyl]oxycyclohexen-1-yl]oxy-trimethylsilane
CID 134837952
tert-butyl-dimethyl-[[(1S,5R)-3-trimethylsilyloxy-6-bicyclo[3.1.0]hex-2-enyl]methoxy]silane
CID 134906272
tri(propan-2-yl)-[[(1S,3E,7E,11R)-1,4,8-trimethyl-13-bicyclo[9.4.0]pentadeca-3,7,12-trienyl]oxy]silane
CID 134979719
tert-butyl-[[(1S,5S)-1,5-dimethyl-3-trimethylsilyloxy-6-bicyclo[3.1.0]hex-2-enyl]methoxy]-dimethylsilane
CID 138973333
Trimethyl-(2-(4-methyl-1-cyclohex-3-enyl)-1-trimethylsilyloxy-propan-2-yl)oxysilane
CID 187239
t-Butyl-dimethyl-[2-(4-methyl-cyclohex-3-enyl)-propoxy]-silane
CID 584625
(3-Butylcyclohexen-1-yl)oxy-triethylsilane
CID 15254772
[(Z)-4,4-dimethyl-1-(3-trimethylsilyloxycyclohex-2-en-1-yl)pent-2-en-3-yl]oxy-trimethylsilane
CID 15448027

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[(1S,2R)-2-(6-methylhept-2-en-2-yl)-4-triethylsilyloxycyclohex-3-en-1-yl]methoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[(1S,2R)-2-(6-methylhept-2-en-2-yl)-4-triethylsilyloxycyclohex-3-en-1-yl]methoxy]silane (CID 91339819) is tert-butyl-dimethyl-[[(1S,2R)-2-(6-methylhept-2-en-2-yl)-4-triethylsilyloxycyclohex-3-en-1-yl]methoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[(1S,2R)-2-(6-methylhept-2-en-2-yl)-4-triethylsilyloxycyclohex-3-en-1-yl]methoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[(1S,2R)-2-(6-methylhept-2-en-2-yl)-4-triethylsilyloxycyclohex-3-en-1-yl]methoxy]silane is CC[Si](CC)(CC)OC1=C[C@H](C(C)=CCCC(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)CC1.
What is the InChIKey of tert-butyl-dimethyl-[[(1S,2R)-2-(6-methylhept-2-en-2-yl)-4-triethylsilyloxycyclohex-3-en-1-yl]methoxy]silane?
The InChIKey is RQUMAVFEDROARN-AOYPEHQESA-N. The full InChI is InChI=1S/C27H54O2Si2/c1-12-31(13-2,14-3)29-25-19-18-24(21-28-30(10,11)27(7,8)9)26(20-25)23(6)17-15-16-22(4)5/h17,20,22,24,26H,12-16,18-19,21H2,1-11H3/t24-,26-/m1/s1.
What are the key properties of tert-butyl-dimethyl-[[(1S,2R)-2-(6-methylhept-2-en-2-yl)-4-triethylsilyloxycyclohex-3-en-1-yl]methoxy]silane?
tert-butyl-dimethyl-[[(1S,2R)-2-(6-methylhept-2-en-2-yl)-4-triethylsilyloxycyclohex-3-en-1-yl]methoxy]silane has a molecular weight of 466.90 g/mol, XLogP of 9.32, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[(1S,2R)-2-(6-methylhept-2-en-2-yl)-4-triethylsilyloxycyclohex-3-en-1-yl]methoxy]silane is sourced from PubChem (CID 91339819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).