cis-(2R,3S)-3-methyl-2-[(E)-3-trimethylsilylbut-2-enyl]cyclohexan-1-one

C14H26OSi — CID 57384171

IUPACcis-(2R,3S)-3-methyl-2-[(E)-3-trimethylsilylbut-2-enyl]cyclohexan-1-one
SMILESC/C(=C\C[C@H]1C(=O)CCC[C@@H]1C)[Si](C)(C)C
InChIInChI=1S/C14H26OSi/c1-11-7-6-8-14(15)13(11)10-9-12(2)16(3,4)5/h9,11,13H,6-8,10H2,1-5H3/b12-9+/t11-,13+/m0/s1
InChIKeyRTJBSLRFOPGLDM-BBLQWXAZSA-N
MW238.45 g/mol
LogP4.21
Rot. Bonds3

About cis-(2R,3S)-3-methyl-2-[(E)-3-trimethylsilylbut-2-enyl]cyclohexan-1-one

cis-(2R,3S)-3-methyl-2-[(E)-3-trimethylsilylbut-2-enyl]cyclohexan-1-one (PubChem CID 57384171) has the molecular formula C14H26OSi and a molecular weight of 238.45 g/mol. Its IUPAC name is cis-(2R,3S)-3-methyl-2-[(E)-3-trimethylsilylbut-2-enyl]cyclohexan-1-one.

Molecular Properties

Compound Namecis-(2R,3S)-3-methyl-2-[(E)-3-trimethylsilylbut-2-enyl]cyclohexan-1-one
PubChem CID57384171
Molecular FormulaC14H26OSi
Molecular Weight238.45 g/mol
Exact Mass238.18
IUPAC Namecis-(2R,3S)-3-methyl-2-[(E)-3-trimethylsilylbut-2-enyl]cyclohexan-1-one
SMILESC/C(=C\C[C@H]1C(=O)CCC[C@@H]1C)[Si](C)(C)C
InChIInChI=1S/C14H26OSi/c1-11-7-6-8-14(15)13(11)10-9-12(2)16(3,4)5/h9,11,13H,6-8,10H2,1-5H3/b12-9+/t11-,13+/m0/s1
InChIKeyRTJBSLRFOPGLDM-BBLQWXAZSA-N
XLogP4.21
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.45
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 cis-(2R,3S)-3-methyl-2-[(E)-3-trimethylsilylbut-2-enyl]cyclohexan-1-one?
The IUPAC name of cis-(2R,3S)-3-methyl-2-[(E)-3-trimethylsilylbut-2-enyl]cyclohexan-1-one (CID 57384171) is cis-(2R,3S)-3-methyl-2-[(E)-3-trimethylsilylbut-2-enyl]cyclohexan-1-one.
What is the SMILES notation for cis-(2R,3S)-3-methyl-2-[(E)-3-trimethylsilylbut-2-enyl]cyclohexan-1-one?
The canonical SMILES for cis-(2R,3S)-3-methyl-2-[(E)-3-trimethylsilylbut-2-enyl]cyclohexan-1-one is C/C(=C\C[C@H]1C(=O)CCC[C@@H]1C)[Si](C)(C)C.
What is the InChIKey of cis-(2R,3S)-3-methyl-2-[(E)-3-trimethylsilylbut-2-enyl]cyclohexan-1-one?
The InChIKey is RTJBSLRFOPGLDM-BBLQWXAZSA-N. The full InChI is InChI=1S/C14H26OSi/c1-11-7-6-8-14(15)13(11)10-9-12(2)16(3,4)5/h9,11,13H,6-8,10H2,1-5H3/b12-9+/t11-,13+/m0/s1.
What are the key properties of cis-(2R,3S)-3-methyl-2-[(E)-3-trimethylsilylbut-2-enyl]cyclohexan-1-one?
cis-(2R,3S)-3-methyl-2-[(E)-3-trimethylsilylbut-2-enyl]cyclohexan-1-one has a molecular weight of 238.45 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(2R,3S)-3-methyl-2-[(E)-3-trimethylsilylbut-2-enyl]cyclohexan-1-one is sourced from PubChem (CID 57384171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).