2-[(2R,6S)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]-4-phenylmethoxycyclohexylidene]ethoxy-tert-butyl-dimethylsilane

C33H62O4Si3 — CID 146028802

IUPAC2-[(2R,6S)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]-4-phenylmethoxycyclohexylidene]ethoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC/C=C1\[C@@H](O[Si](C)(C)C(C)(C)C)CC(OCc2ccccc2)C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C33H62O4Si3/c1-31(2,3)38(10,11)35-22-21-28-29(36-39(12,13)32(4,5)6)23-27(34-25-26-19-17-16-18-20-26)24-30(28)37-40(14,15)33(7,8)9/h16-21,27,29-30H,22-25H2,1-15H3/b28-21-/t27?,29-,30+/m1/s1
InChIKeyAEYWCFMHZLUEML-MMUGDQGWSA-N
MW607.11 g/mol
LogP10.09
Rot. Bonds10

About 2-[(2R,6S)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]-4-phenylmethoxycyclohexylidene]ethoxy-tert-butyl-dimethylsilane

2-[(2R,6S)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]-4-phenylmethoxycyclohexylidene]ethoxy-tert-butyl-dimethylsilane (PubChem CID 146028802) has the molecular formula C33H62O4Si3 and a molecular weight of 607.11 g/mol. Its IUPAC name is 2-[(2R,6S)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]-4-phenylmethoxycyclohexylidene]ethoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name2-[(2R,6S)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]-4-phenylmethoxycyclohexylidene]ethoxy-tert-butyl-dimethylsilane
PubChem CID146028802
Molecular FormulaC33H62O4Si3
Molecular Weight607.11 g/mol
Exact Mass606.40
IUPAC Name2-[(2R,6S)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]-4-phenylmethoxycyclohexylidene]ethoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC/C=C1\[C@@H](O[Si](C)(C)C(C)(C)C)CC(OCc2ccccc2)C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C33H62O4Si3/c1-31(2,3)38(10,11)35-22-21-28-29(36-39(12,13)32(4,5)6)23-27(34-25-26-19-17-16-18-20-26)24-30(28)37-40(14,15)33(7,8)9/h16-21,27,29-30H,22-25H2,1-15H3/b28-21-/t27?,29-,30+/m1/s1
InChIKeyAEYWCFMHZLUEML-MMUGDQGWSA-N
XLogP10.09
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.11
LogP ≤ 510.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

(1S,2S,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-5-phenylmethoxycyclohexan-1-ol
CID 101116684
[2,6-bis[[tert-butyl(dimethyl)silyl]oxy]-1-methyl-4-phenylmethoxycyclohexyl]oxy-trimethylsilane
CID 69221975
tert-butyl-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-phenylmethoxycyclohexyl]oxy-dimethylsilane
CID 67591786
(3R,4S,5S,6R)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-4,5-bis(phenylmethoxy)cycloheptan-1-ol
CID 101106224
tert-butyl-dimethyl-[[(2R,3R,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-prop-2-enyloxan-2-yl]methoxy]silane
CID 72723984
(7E,10S,12S)-10-[tert-butyl(dimethyl)silyl]oxy-12-methyl-5-phenylmethoxy-1-oxacyclododec-7-en-2-one
CID 102168649
[(2S,3S,5R,6R)-2,6-diacetyloxy-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-phenylmethoxycyclohexyl] acetate
CID 10031871
(1R,2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxycyclohexan-1-ol
CID 10616882
(2R,6R,8R,8aS)-2-[tert-butyl(dimethyl)silyl]oxy-6-phenylmethoxy-8-phenylselanyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 10720985
(5S)-3-phenylmethoxy-6-oxabicyclo[3.1.0]hexane
CID 122657901
3-phenylmethoxy-6-oxabicyclo[3.1.0]hexane
CID 12882576
(1R,2S,3S,4R,5R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(methylamino)-4,5,6-tris(phenylmethoxy)cyclohexan-1-ol
CID 44543169

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,6S)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]-4-phenylmethoxycyclohexylidene]ethoxy-tert-butyl-dimethylsilane?
The IUPAC name of 2-[(2R,6S)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]-4-phenylmethoxycyclohexylidene]ethoxy-tert-butyl-dimethylsilane (CID 146028802) is 2-[(2R,6S)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]-4-phenylmethoxycyclohexylidene]ethoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for 2-[(2R,6S)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]-4-phenylmethoxycyclohexylidene]ethoxy-tert-butyl-dimethylsilane?
The canonical SMILES for 2-[(2R,6S)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]-4-phenylmethoxycyclohexylidene]ethoxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OC/C=C1\[C@@H](O[Si](C)(C)C(C)(C)C)CC(OCc2ccccc2)C[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-[(2R,6S)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]-4-phenylmethoxycyclohexylidene]ethoxy-tert-butyl-dimethylsilane?
The InChIKey is AEYWCFMHZLUEML-MMUGDQGWSA-N. The full InChI is InChI=1S/C33H62O4Si3/c1-31(2,3)38(10,11)35-22-21-28-29(36-39(12,13)32(4,5)6)23-27(34-25-26-19-17-16-18-20-26)24-30(28)37-40(14,15)33(7,8)9/h16-21,27,29-30H,22-25H2,1-15H3/b28-21-/t27?,29-,30+/m1/s1.
What are the key properties of 2-[(2R,6S)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]-4-phenylmethoxycyclohexylidene]ethoxy-tert-butyl-dimethylsilane?
2-[(2R,6S)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]-4-phenylmethoxycyclohexylidene]ethoxy-tert-butyl-dimethylsilane has a molecular weight of 607.11 g/mol, XLogP of 10.09, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,6S)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]-4-phenylmethoxycyclohexylidene]ethoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 146028802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).