trans-(3R,4R)-3-(1-trimethylsilylethenyl)-4-trimethylsilyloxycyclohexan-1-one

C14H28O2Si2 — CID 71394790

IUPACtrans-(3R,4R)-3-(1-trimethylsilylethenyl)-4-trimethylsilyloxycyclohexan-1-one
SMILESC=C([C@@H]1CC(=O)CC[C@H]1O[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C14H28O2Si2/c1-11(17(2,3)4)13-10-12(15)8-9-14(13)16-18(5,6)7/h13-14H,1,8-10H2,2-7H3/t13-,14+/m0/s1
InChIKeyWUODEKAIXYDCKZ-UONOGXRCSA-N
MW284.55 g/mol
LogP4.01
Rot. Bonds4

About trans-(3R,4R)-3-(1-trimethylsilylethenyl)-4-trimethylsilyloxycyclohexan-1-one

trans-(3R,4R)-3-(1-trimethylsilylethenyl)-4-trimethylsilyloxycyclohexan-1-one (PubChem CID 71394790) has the molecular formula C14H28O2Si2 and a molecular weight of 284.55 g/mol. Its IUPAC name is trans-(3R,4R)-3-(1-trimethylsilylethenyl)-4-trimethylsilyloxycyclohexan-1-one.

Molecular Properties

Compound Nametrans-(3R,4R)-3-(1-trimethylsilylethenyl)-4-trimethylsilyloxycyclohexan-1-one
PubChem CID71394790
Molecular FormulaC14H28O2Si2
Molecular Weight284.55 g/mol
Exact Mass284.16
IUPAC Nametrans-(3R,4R)-3-(1-trimethylsilylethenyl)-4-trimethylsilyloxycyclohexan-1-one
SMILESC=C([C@@H]1CC(=O)CC[C@H]1O[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C14H28O2Si2/c1-11(17(2,3)4)13-10-12(15)8-9-14(13)16-18(5,6)7/h13-14H,1,8-10H2,2-7H3/t13-,14+/m0/s1
InChIKeyWUODEKAIXYDCKZ-UONOGXRCSA-N
XLogP4.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.55
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trans-(3R,4R)-3-(1-trimethylsilylethenyl)-4-trimethylsilyloxycyclohexan-1-one?
The IUPAC name of trans-(3R,4R)-3-(1-trimethylsilylethenyl)-4-trimethylsilyloxycyclohexan-1-one (CID 71394790) is trans-(3R,4R)-3-(1-trimethylsilylethenyl)-4-trimethylsilyloxycyclohexan-1-one.
What is the SMILES notation for trans-(3R,4R)-3-(1-trimethylsilylethenyl)-4-trimethylsilyloxycyclohexan-1-one?
The canonical SMILES for trans-(3R,4R)-3-(1-trimethylsilylethenyl)-4-trimethylsilyloxycyclohexan-1-one is C=C([C@@H]1CC(=O)CC[C@H]1O[Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of trans-(3R,4R)-3-(1-trimethylsilylethenyl)-4-trimethylsilyloxycyclohexan-1-one?
The InChIKey is WUODEKAIXYDCKZ-UONOGXRCSA-N. The full InChI is InChI=1S/C14H28O2Si2/c1-11(17(2,3)4)13-10-12(15)8-9-14(13)16-18(5,6)7/h13-14H,1,8-10H2,2-7H3/t13-,14+/m0/s1.
What are the key properties of trans-(3R,4R)-3-(1-trimethylsilylethenyl)-4-trimethylsilyloxycyclohexan-1-one?
trans-(3R,4R)-3-(1-trimethylsilylethenyl)-4-trimethylsilyloxycyclohexan-1-one has a molecular weight of 284.55 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(3R,4R)-3-(1-trimethylsilylethenyl)-4-trimethylsilyloxycyclohexan-1-one is sourced from PubChem (CID 71394790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).