(3Z)-3-[(2S)-2-cyclohexyl-2-[dimethyl(phenyl)silyl]ethylidene]cyclohexan-1-one

C22H32OSi — CID 102591975

IUPAC(3Z)-3-[(2S)-2-cyclohexyl-2-[dimethyl(phenyl)silyl]ethylidene]cyclohexan-1-one
SMILESC[Si](C)(c1ccccc1)[C@H](/C=C1/CCCC(=O)C1)C1CCCCC1
InChIInChI=1S/C22H32OSi/c1-24(2,21-14-7-4-8-15-21)22(19-11-5-3-6-12-19)17-18-10-9-13-20(23)16-18/h4,7-8,14-15,17,19,22H,3,5-6,9-13,16H2,1-2H3/b18-17-/t22-/m1/s1
InChIKeyVIWGXCZJSNORBZ-WLBHNISZSA-N
MW340.58 g/mol
LogP5.62
Rot. Bonds4

About (3Z)-3-[(2S)-2-cyclohexyl-2-[dimethyl(phenyl)silyl]ethylidene]cyclohexan-1-one

(3Z)-3-[(2S)-2-cyclohexyl-2-[dimethyl(phenyl)silyl]ethylidene]cyclohexan-1-one (PubChem CID 102591975) has the molecular formula C22H32OSi and a molecular weight of 340.58 g/mol. Its IUPAC name is (3Z)-3-[(2S)-2-cyclohexyl-2-[dimethyl(phenyl)silyl]ethylidene]cyclohexan-1-one.

Molecular Properties

Compound Name(3Z)-3-[(2S)-2-cyclohexyl-2-[dimethyl(phenyl)silyl]ethylidene]cyclohexan-1-one
PubChem CID102591975
Molecular FormulaC22H32OSi
Molecular Weight340.58 g/mol
Exact Mass340.22
IUPAC Name(3Z)-3-[(2S)-2-cyclohexyl-2-[dimethyl(phenyl)silyl]ethylidene]cyclohexan-1-one
SMILESC[Si](C)(c1ccccc1)[C@H](/C=C1/CCCC(=O)C1)C1CCCCC1
InChIInChI=1S/C22H32OSi/c1-24(2,21-14-7-4-8-15-21)22(19-11-5-3-6-12-19)17-18-10-9-13-20(23)16-18/h4,7-8,14-15,17,19,22H,3,5-6,9-13,16H2,1-2H3/b18-17-/t22-/m1/s1
InChIKeyVIWGXCZJSNORBZ-WLBHNISZSA-N
XLogP5.62
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.58
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(2S)-2-cyclohexyl-2-[dimethyl(phenyl)silyl]ethylidene]cyclohexan-1-one?
The IUPAC name of (3Z)-3-[(2S)-2-cyclohexyl-2-[dimethyl(phenyl)silyl]ethylidene]cyclohexan-1-one (CID 102591975) is (3Z)-3-[(2S)-2-cyclohexyl-2-[dimethyl(phenyl)silyl]ethylidene]cyclohexan-1-one.
What is the SMILES notation for (3Z)-3-[(2S)-2-cyclohexyl-2-[dimethyl(phenyl)silyl]ethylidene]cyclohexan-1-one?
The canonical SMILES for (3Z)-3-[(2S)-2-cyclohexyl-2-[dimethyl(phenyl)silyl]ethylidene]cyclohexan-1-one is C[Si](C)(c1ccccc1)[C@H](/C=C1/CCCC(=O)C1)C1CCCCC1.
What is the InChIKey of (3Z)-3-[(2S)-2-cyclohexyl-2-[dimethyl(phenyl)silyl]ethylidene]cyclohexan-1-one?
The InChIKey is VIWGXCZJSNORBZ-WLBHNISZSA-N. The full InChI is InChI=1S/C22H32OSi/c1-24(2,21-14-7-4-8-15-21)22(19-11-5-3-6-12-19)17-18-10-9-13-20(23)16-18/h4,7-8,14-15,17,19,22H,3,5-6,9-13,16H2,1-2H3/b18-17-/t22-/m1/s1.
What are the key properties of (3Z)-3-[(2S)-2-cyclohexyl-2-[dimethyl(phenyl)silyl]ethylidene]cyclohexan-1-one?
(3Z)-3-[(2S)-2-cyclohexyl-2-[dimethyl(phenyl)silyl]ethylidene]cyclohexan-1-one has a molecular weight of 340.58 g/mol, XLogP of 5.62, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(2S)-2-cyclohexyl-2-[dimethyl(phenyl)silyl]ethylidene]cyclohexan-1-one is sourced from PubChem (CID 102591975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).