trans-(3R,4S)-3-(6-methyl-6-trimethylsilyloxyhept-2-enyl)-4-trimethylsilyloxycyclohexan-1-one

C20H40O3Si2 — CID 90972005

IUPACtrans-(3R,4S)-3-(6-methyl-6-trimethylsilyloxyhept-2-enyl)-4-trimethylsilyloxycyclohexan-1-one
SMILESCC(C)(CCC=CC[C@@H]1CC(=O)CC[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C20H40O3Si2/c1-20(2,23-25(6,7)8)15-11-9-10-12-17-16-18(21)13-14-19(17)22-24(3,4)5/h9-10,17,19H,11-16H2,1-8H3/t17-,19+/m1/s1
InChIKeyGYUPWUPNYHFDPF-MJGOQNOKSA-N
MW384.71 g/mol
LogP5.93
Rot. Bonds9

About trans-(3R,4S)-3-(6-methyl-6-trimethylsilyloxyhept-2-enyl)-4-trimethylsilyloxycyclohexan-1-one

trans-(3R,4S)-3-(6-methyl-6-trimethylsilyloxyhept-2-enyl)-4-trimethylsilyloxycyclohexan-1-one (PubChem CID 90972005) has the molecular formula C20H40O3Si2 and a molecular weight of 384.71 g/mol. Its IUPAC name is trans-(3R,4S)-3-(6-methyl-6-trimethylsilyloxyhept-2-enyl)-4-trimethylsilyloxycyclohexan-1-one.

Molecular Properties

Compound Nametrans-(3R,4S)-3-(6-methyl-6-trimethylsilyloxyhept-2-enyl)-4-trimethylsilyloxycyclohexan-1-one
PubChem CID90972005
Molecular FormulaC20H40O3Si2
Molecular Weight384.71 g/mol
Exact Mass384.25
IUPAC Nametrans-(3R,4S)-3-(6-methyl-6-trimethylsilyloxyhept-2-enyl)-4-trimethylsilyloxycyclohexan-1-one
SMILESCC(C)(CCC=CC[C@@H]1CC(=O)CC[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C20H40O3Si2/c1-20(2,23-25(6,7)8)15-11-9-10-12-17-16-18(21)13-14-19(17)22-24(3,4)5/h9-10,17,19H,11-16H2,1-8H3/t17-,19+/m1/s1
InChIKeyGYUPWUPNYHFDPF-MJGOQNOKSA-N
XLogP5.93
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.71
LogP ≤ 55.93
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'}

Analyze trans-(3R,4S)-3-(6-methyl-6-trimethylsilyloxyhept-2-enyl)-4-trimethylsilyloxycyclohexan-1-one with MolForge

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Launch Full Analysis

Related Compounds

cis-(3R,4R)-3-but-3-enyl-4-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-one
CID 134939454
(E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexyldodec-2-en-1-one
CID 10023579
(1S,4E,8E,12S,15S)-1,5,9-trimethyl-15-trimethylsilyloxybicyclo[10.2.2]hexadeca-4,8-dien-13-one
CID 10090063
3-[(E)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclohexan-1-one
CID 10569052
3-[(E)-3-[tert-butyl(dimethyl)silyl]oxyundec-1-enyl]cyclohexan-1-one
CID 10833676
3-[(E)-3-[tert-butyl(dimethyl)silyl]oxy-5-cyclopentylpent-1-enyl]cyclohexan-1-one
CID 19042230
3-[(E)-3-[tert-butyl(dimethyl)silyl]oxydec-1-enyl]cyclohexan-1-one
CID 19042234
3-[3-[Tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclohexan-1-one
CID 53788910
(3R)-3-(6-methyl-6-trimethylsilyloxyhept-2-enyl)-4-trimethylsilyloxycyclohexan-1-one
CID 53864551
3-[3-[Tert-butyl(dimethyl)silyl]oxydec-1-enyl]cyclohexan-1-one
CID 53918542
3-[3-[Tert-butyl(dimethyl)silyl]oxyundec-1-enyl]cyclohexan-1-one
CID 54278448
3-[3-[Tert-butyl(dimethyl)silyl]oxy-5-cyclopentylpent-1-enyl]cyclohexan-1-one
CID 54316896

Frequently Asked Questions

What is the IUPAC name of trans-(3R,4S)-3-(6-methyl-6-trimethylsilyloxyhept-2-enyl)-4-trimethylsilyloxycyclohexan-1-one?
The IUPAC name of trans-(3R,4S)-3-(6-methyl-6-trimethylsilyloxyhept-2-enyl)-4-trimethylsilyloxycyclohexan-1-one (CID 90972005) is trans-(3R,4S)-3-(6-methyl-6-trimethylsilyloxyhept-2-enyl)-4-trimethylsilyloxycyclohexan-1-one.
What is the SMILES notation for trans-(3R,4S)-3-(6-methyl-6-trimethylsilyloxyhept-2-enyl)-4-trimethylsilyloxycyclohexan-1-one?
The canonical SMILES for trans-(3R,4S)-3-(6-methyl-6-trimethylsilyloxyhept-2-enyl)-4-trimethylsilyloxycyclohexan-1-one is CC(C)(CCC=CC[C@@H]1CC(=O)CC[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of trans-(3R,4S)-3-(6-methyl-6-trimethylsilyloxyhept-2-enyl)-4-trimethylsilyloxycyclohexan-1-one?
The InChIKey is GYUPWUPNYHFDPF-MJGOQNOKSA-N. The full InChI is InChI=1S/C20H40O3Si2/c1-20(2,23-25(6,7)8)15-11-9-10-12-17-16-18(21)13-14-19(17)22-24(3,4)5/h9-10,17,19H,11-16H2,1-8H3/t17-,19+/m1/s1.
What are the key properties of trans-(3R,4S)-3-(6-methyl-6-trimethylsilyloxyhept-2-enyl)-4-trimethylsilyloxycyclohexan-1-one?
trans-(3R,4S)-3-(6-methyl-6-trimethylsilyloxyhept-2-enyl)-4-trimethylsilyloxycyclohexan-1-one has a molecular weight of 384.71 g/mol, XLogP of 5.93, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(3R,4S)-3-(6-methyl-6-trimethylsilyloxyhept-2-enyl)-4-trimethylsilyloxycyclohexan-1-one is sourced from PubChem (CID 90972005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).