[(1R,4S,6S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-yl]methoxy-tert-butyl-dimethylsilane

C25H54O3Si3 — CID 10672598

IUPAC[(1R,4S,6S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-yl]methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1C=C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H54O3Si3/c1-23(2,3)29(10,11)26-19-20-16-17-21(27-30(12,13)24(4,5)6)18-22(20)28-31(14,15)25(7,8)9/h16-17,20-22H,18-19H2,1-15H3/t20-,21-,22+/m1/s1
InChIKeyGOINCCTYJBLADM-VSKRKVRLSA-N
MW486.96 g/mol
LogP8.37
Rot. Bonds7

About [(1R,4S,6S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-yl]methoxy-tert-butyl-dimethylsilane

[(1R,4S,6S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-yl]methoxy-tert-butyl-dimethylsilane (PubChem CID 10672598) has the molecular formula C25H54O3Si3 and a molecular weight of 486.96 g/mol. Its IUPAC name is [(1R,4S,6S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-yl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(1R,4S,6S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-yl]methoxy-tert-butyl-dimethylsilane
PubChem CID10672598
Molecular FormulaC25H54O3Si3
Molecular Weight486.96 g/mol
Exact Mass486.34
IUPAC Name[(1R,4S,6S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-yl]methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1C=C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H54O3Si3/c1-23(2,3)29(10,11)26-19-20-16-17-21(27-30(12,13)24(4,5)6)18-22(20)28-31(14,15)25(7,8)9/h16-17,20-22H,18-19H2,1-15H3/t20-,21-,22+/m1/s1
InChIKeyGOINCCTYJBLADM-VSKRKVRLSA-N
XLogP8.37
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.96
LogP ≤ 58.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

tert-butyl-[(1S,3S)-2,2-dimethyl-1-[(E)-prop-1-enyl]-3-trimethylsilyloxyhex-5-enoxy]-dimethylsilane
CID 134951609
tert-butyl-[(5R,6E)-5-[tert-butyl(dimethyl)silyl]oxy-7-methyldeca-6,9-dienoxy]-dimethylsilane
CID 134960246
[(E,1R,5R)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methyl-1-(2-methylidenepent-4-enyl)non-3-enoxy]-tert-butyl-dimethylsilane
CID 134960457
triethyl-[(2E)-1-(3-methyl-2-methylidenebutyl)-3-triethylsilylhexa-2,5-dienoxy]silane
CID 135020840
(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopenten-1-olate
CID 135046756
triethyl-[(3R,4S,5R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]cyclohexen-1-yl]silane
CID 166440883
tert-butyl-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohex-3-en-1-yl]oxy-dimethylsilane
CID 11067856
(3S,4S,6E,9R,10E)-3,9-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methyldodeca-6,10-dien-1-ol
CID 50915854
(1R,4R,5S)-5-(tert-Butyldimethylsilyloxy)-4-(tert-butyldimethylsilyloxymethyl)-cyclohex-2-en-1-ol
CID 10714360
(4R,5S,2E)-5,7-bis(tert-Butyldimethylsilyloxy)-4-methylhept-2-en-1-ol
CID 11176741
Tert-butyl-dimethyl-[(2-trimethylsilyloxycyclohex-2-en-1-yl)methoxy]silane
CID 19379293
Tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-5-prop-2-enylidenecyclohexyl]oxy-dimethylsilane
CID 54491488

Frequently Asked Questions

What is the IUPAC name of [(1R,4S,6S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-yl]methoxy-tert-butyl-dimethylsilane?
The IUPAC name of [(1R,4S,6S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-yl]methoxy-tert-butyl-dimethylsilane (CID 10672598) is [(1R,4S,6S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-yl]methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(1R,4S,6S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-yl]methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(1R,4S,6S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-yl]methoxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OC[C@H]1C=C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(1R,4S,6S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-yl]methoxy-tert-butyl-dimethylsilane?
The InChIKey is GOINCCTYJBLADM-VSKRKVRLSA-N. The full InChI is InChI=1S/C25H54O3Si3/c1-23(2,3)29(10,11)26-19-20-16-17-21(27-30(12,13)24(4,5)6)18-22(20)28-31(14,15)25(7,8)9/h16-17,20-22H,18-19H2,1-15H3/t20-,21-,22+/m1/s1.
What are the key properties of [(1R,4S,6S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-yl]methoxy-tert-butyl-dimethylsilane?
[(1R,4S,6S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-yl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 486.96 g/mol, XLogP of 8.37, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,4S,6S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-yl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 10672598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).