(E,3S)-1-cyclohexyl-3-[dimethyl(phenyl)silyl]-2,5-dimethylhex-1-en-3-ol

C22H36OSi — CID 154710158

IUPAC(E,3S)-1-cyclohexyl-3-[dimethyl(phenyl)silyl]-2,5-dimethylhex-1-en-3-ol
SMILESC/C(=C\C1CCCCC1)[C@](O)(CC(C)C)[Si](C)(C)c1ccccc1
InChIInChI=1S/C22H36OSi/c1-18(2)17-22(23,19(3)16-20-12-8-6-9-13-20)24(4,5)21-14-10-7-11-15-21/h7,10-11,14-16,18,20,23H,6,8-9,12-13,17H2,1-5H3/b19-16+/t22-/m0/s1
InChIKeyZGSCMLLAJWRKMB-JHNUBAFKSA-N
MW344.62 g/mol
LogP5.45
Rot. Bonds6

About (E,3S)-1-cyclohexyl-3-[dimethyl(phenyl)silyl]-2,5-dimethylhex-1-en-3-ol

(E,3S)-1-cyclohexyl-3-[dimethyl(phenyl)silyl]-2,5-dimethylhex-1-en-3-ol (PubChem CID 154710158) has the molecular formula C22H36OSi and a molecular weight of 344.62 g/mol. Its IUPAC name is (E,3S)-1-cyclohexyl-3-[dimethyl(phenyl)silyl]-2,5-dimethylhex-1-en-3-ol.

Molecular Properties

Compound Name(E,3S)-1-cyclohexyl-3-[dimethyl(phenyl)silyl]-2,5-dimethylhex-1-en-3-ol
PubChem CID154710158
Molecular FormulaC22H36OSi
Molecular Weight344.62 g/mol
Exact Mass344.25
IUPAC Name(E,3S)-1-cyclohexyl-3-[dimethyl(phenyl)silyl]-2,5-dimethylhex-1-en-3-ol
SMILESC/C(=C\C1CCCCC1)[C@](O)(CC(C)C)[Si](C)(C)c1ccccc1
InChIInChI=1S/C22H36OSi/c1-18(2)17-22(23,19(3)16-20-12-8-6-9-13-20)24(4,5)21-14-10-7-11-15-21/h7,10-11,14-16,18,20,23H,6,8-9,12-13,17H2,1-5H3/b19-16+/t22-/m0/s1
InChIKeyZGSCMLLAJWRKMB-JHNUBAFKSA-N
XLogP5.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.62
LogP ≤ 55.45
H-Bond Donors ≤ 51
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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Related Compounds

(E)-2,5,7-trimethyl-4-[methyl(diphenyl)silyl]oct-5-en-4-ol
CID 134951438
(Z,1S)-3-cyclohexyl-2-methyl-1-phenylprop-2-en-1-ol
CID 121450876
(E,3S)-3-[dimethyl(phenyl)silyl]-4-methylhex-4-en-3-ol
CID 154723365
[(E)-2-cyclohexylethenyl]-dimethyl-phenylsilane
CID 135044086
cyclopentyl-methyl-diphenylsilane
CID 123376620
3-cyclohexylprop-1-en-2-yl-methyl-diphenylsilane
CID 122224745
[(2E,4Z)-5-cyclohexylhexa-2,4-dien-2-yl]benzene
CID 177407839
[(Z)-3-cyclohexyl-1-[dimethyl(phenyl)silyl]prop-1-en-2-yl]-dimethyl-phenylsilane
CID 102497946
[(E)-1-cyclohexyl-4-[dimethyl(phenyl)silyl]pent-2-enyl] acetate
CID 10688850
[(Z)-2-cyclohexylethenyl]-triphenylsilane
CID 102404130
(2R,3R)-2-[dimethyl(phenyl)silyl]-3-methylpent-4-en-2-ol
CID 102406326
(E)-2,3,5-trimethyl-1-phenylhex-1-en-3-ol
CID 134945314

Frequently Asked Questions

What is the IUPAC name of (E,3S)-1-cyclohexyl-3-[dimethyl(phenyl)silyl]-2,5-dimethylhex-1-en-3-ol?
The IUPAC name of (E,3S)-1-cyclohexyl-3-[dimethyl(phenyl)silyl]-2,5-dimethylhex-1-en-3-ol (CID 154710158) is (E,3S)-1-cyclohexyl-3-[dimethyl(phenyl)silyl]-2,5-dimethylhex-1-en-3-ol.
What is the SMILES notation for (E,3S)-1-cyclohexyl-3-[dimethyl(phenyl)silyl]-2,5-dimethylhex-1-en-3-ol?
The canonical SMILES for (E,3S)-1-cyclohexyl-3-[dimethyl(phenyl)silyl]-2,5-dimethylhex-1-en-3-ol is C/C(=C\C1CCCCC1)[C@](O)(CC(C)C)[Si](C)(C)c1ccccc1.
What is the InChIKey of (E,3S)-1-cyclohexyl-3-[dimethyl(phenyl)silyl]-2,5-dimethylhex-1-en-3-ol?
The InChIKey is ZGSCMLLAJWRKMB-JHNUBAFKSA-N. The full InChI is InChI=1S/C22H36OSi/c1-18(2)17-22(23,19(3)16-20-12-8-6-9-13-20)24(4,5)21-14-10-7-11-15-21/h7,10-11,14-16,18,20,23H,6,8-9,12-13,17H2,1-5H3/b19-16+/t22-/m0/s1.
What are the key properties of (E,3S)-1-cyclohexyl-3-[dimethyl(phenyl)silyl]-2,5-dimethylhex-1-en-3-ol?
(E,3S)-1-cyclohexyl-3-[dimethyl(phenyl)silyl]-2,5-dimethylhex-1-en-3-ol has a molecular weight of 344.62 g/mol, XLogP of 5.45, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3S)-1-cyclohexyl-3-[dimethyl(phenyl)silyl]-2,5-dimethylhex-1-en-3-ol is sourced from PubChem (CID 154710158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).