(4R,6S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohept-2-en-1-one

C19H38O3Si2 — CID 14263274

IUPAC(4R,6S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohept-2-en-1-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CC(=O)C=C[C@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C19H38O3Si2/c1-18(2,3)23(7,8)21-16-12-11-15(20)13-17(14-16)22-24(9,10)19(4,5)6/h11-12,16-17H,13-14H2,1-10H3/t16-,17+/m0/s1
InChIKeyQLQZOEJPYSNVKK-DLBZAZTESA-N
MW370.68 g/mol
LogP5.69
Rot. Bonds4

About (4R,6S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohept-2-en-1-one

(4R,6S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohept-2-en-1-one (PubChem CID 14263274) has the molecular formula C19H38O3Si2 and a molecular weight of 370.68 g/mol. Its IUPAC name is (4R,6S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohept-2-en-1-one.

Molecular Properties

Compound Name(4R,6S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohept-2-en-1-one
PubChem CID14263274
Molecular FormulaC19H38O3Si2
Molecular Weight370.68 g/mol
Exact Mass370.24
IUPAC Name(4R,6S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohept-2-en-1-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CC(=O)C=C[C@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C19H38O3Si2/c1-18(2,3)23(7,8)21-16-12-11-15(20)13-17(14-16)22-24(9,10)19(4,5)6/h11-12,16-17H,13-14H2,1-10H3/t16-,17+/m0/s1
InChIKeyQLQZOEJPYSNVKK-DLBZAZTESA-N
XLogP5.69
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.68
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-hydroxycyclohept-2-en-1-one
CID 101658121
(3R,4S,5E,9S,11R)-3,11-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methyl-9-trimethylsilyloxytetradeca-5,13-dien-7-one
CID 135019578
(6R,11Z,13S)-2-methyl-6-triethylsilyloxy-13-tri(propan-2-yl)silyloxypentadeca-2,11-dien-8-one
CID 5471930
4-[Tert-butyl(dimethyl)silyl]oxycyclohept-2-en-1-one
CID 14379684
4-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-2-trimethylsilylnon-2-enyl]cyclopent-2-en-1-one
CID 20700488
4-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-non-2-enyl]cyclopent-2-en-1-one
CID 20700491
2-[1-[Diethyl(7-oxooct-3-enoxy)silyl]ethyl]-4-triethylsilyloxycyclopent-2-en-1-one
CID 54172867
4-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-non-2-enyl]cyclopent-2-en-1-one
CID 59941513
2-Oct-3-enyl-4-triethylsilyloxycyclopent-2-en-1-one
CID 67929281
2-[1-[diethyl-[(Z)-7-oxooct-3-enoxy]silyl]ethyl]-4-triethylsilyloxycyclopent-2-en-1-one
CID 70405695
2-[(Z)-8-[tert-butyl(dimethyl)silyl]oxy-7-oxooct-2-enyl]-4-trimethylsilyloxycyclopent-2-en-1-one
CID 70573152
4-[Tert-butyl(dimethyl)silyl]oxy-2-(2-trimethylsilylnon-2-enyl)cyclopent-2-en-1-one
CID 73697968

Frequently Asked Questions

What is the IUPAC name of (4R,6S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohept-2-en-1-one?
The IUPAC name of (4R,6S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohept-2-en-1-one (CID 14263274) is (4R,6S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohept-2-en-1-one.
What is the SMILES notation for (4R,6S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohept-2-en-1-one?
The canonical SMILES for (4R,6S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohept-2-en-1-one is CC(C)(C)[Si](C)(C)O[C@@H]1CC(=O)C=C[C@H](O[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of (4R,6S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohept-2-en-1-one?
The InChIKey is QLQZOEJPYSNVKK-DLBZAZTESA-N. The full InChI is InChI=1S/C19H38O3Si2/c1-18(2,3)23(7,8)21-16-12-11-15(20)13-17(14-16)22-24(9,10)19(4,5)6/h11-12,16-17H,13-14H2,1-10H3/t16-,17+/m0/s1.
What are the key properties of (4R,6S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohept-2-en-1-one?
(4R,6S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohept-2-en-1-one has a molecular weight of 370.68 g/mol, XLogP of 5.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohept-2-en-1-one is sourced from PubChem (CID 14263274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).