(E,3S)-3-[dimethyl(phenyl)silyl]-4-methylhex-4-en-3-ol

C15H24OSi — CID 154723365

IUPAC(E,3S)-3-[dimethyl(phenyl)silyl]-4-methylhex-4-en-3-ol
SMILESC/C=C(\C)[C@](O)(CC)[Si](C)(C)c1ccccc1
InChIInChI=1S/C15H24OSi/c1-6-13(3)15(16,7-2)17(4,5)14-11-9-8-10-12-14/h6,8-12,16H,7H2,1-5H3/b13-6+/t15-/m0/s1
InChIKeySFQGMCLUKIWCBG-NNSJBKGDSA-N
MW248.44 g/mol
LogP3.25
Rot. Bonds4

About (E,3S)-3-[dimethyl(phenyl)silyl]-4-methylhex-4-en-3-ol

(E,3S)-3-[dimethyl(phenyl)silyl]-4-methylhex-4-en-3-ol (PubChem CID 154723365) has the molecular formula C15H24OSi and a molecular weight of 248.44 g/mol. Its IUPAC name is (E,3S)-3-[dimethyl(phenyl)silyl]-4-methylhex-4-en-3-ol.

Molecular Properties

Compound Name(E,3S)-3-[dimethyl(phenyl)silyl]-4-methylhex-4-en-3-ol
PubChem CID154723365
Molecular FormulaC15H24OSi
Molecular Weight248.44 g/mol
Exact Mass248.16
IUPAC Name(E,3S)-3-[dimethyl(phenyl)silyl]-4-methylhex-4-en-3-ol
SMILESC/C=C(\C)[C@](O)(CC)[Si](C)(C)c1ccccc1
InChIInChI=1S/C15H24OSi/c1-6-13(3)15(16,7-2)17(4,5)14-11-9-8-10-12-14/h6,8-12,16H,7H2,1-5H3/b13-6+/t15-/m0/s1
InChIKeySFQGMCLUKIWCBG-NNSJBKGDSA-N
XLogP3.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.44
LogP ≤ 53.25
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,3S)-1-cyclohexyl-3-[dimethyl(phenyl)silyl]-2,5-dimethylhex-1-en-3-ol
CID 154710158
(E,2S)-2-ethyl-3-methyl-2-[methyl(diphenyl)silyl]oxy-1-phenylpent-3-en-1-one
CID 132535500
(E)-2,5,7-trimethyl-4-[methyl(diphenyl)silyl]oct-5-en-4-ol
CID 134951438
[2-[dimethyl(phenyl)silyl]-1,1,2,2-tetrafluoroethyl]-dimethyl-phenylsilane
CID 10926773
(2R,3R)-2-[dimethyl(phenyl)silyl]-3-methylpent-4-en-2-ol
CID 102406326
2-[dimethyl(phenyl)silyl]-5,5-dimethylhex-3-yn-2-ol
CID 166442245
[(E)-pent-2-en-3-yl]-triphenylsilane
CID 15062806
chloro-(3-ethylpentan-3-yl)-methyl-phenylsilane
CID 151743213
(E)-4-[dimethyl(phenyl)silyl]but-2-en-1-ol
CID 10058832
[(E)-but-2-en-2-yl]benzene;ethane;propane
CID 144534728
[2,4-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-3-en-2-yl]-dimethyl-phenylsilane
CID 100945364
(E,2S)-2-[tert-butyl-methyl-(phenylmethoxymethyl)silyl]-3-methylpent-3-en-2-ol
CID 100967279

Frequently Asked Questions

What is the IUPAC name of (E,3S)-3-[dimethyl(phenyl)silyl]-4-methylhex-4-en-3-ol?
The IUPAC name of (E,3S)-3-[dimethyl(phenyl)silyl]-4-methylhex-4-en-3-ol (CID 154723365) is (E,3S)-3-[dimethyl(phenyl)silyl]-4-methylhex-4-en-3-ol.
What is the SMILES notation for (E,3S)-3-[dimethyl(phenyl)silyl]-4-methylhex-4-en-3-ol?
The canonical SMILES for (E,3S)-3-[dimethyl(phenyl)silyl]-4-methylhex-4-en-3-ol is C/C=C(\C)[C@](O)(CC)[Si](C)(C)c1ccccc1.
What is the InChIKey of (E,3S)-3-[dimethyl(phenyl)silyl]-4-methylhex-4-en-3-ol?
The InChIKey is SFQGMCLUKIWCBG-NNSJBKGDSA-N. The full InChI is InChI=1S/C15H24OSi/c1-6-13(3)15(16,7-2)17(4,5)14-11-9-8-10-12-14/h6,8-12,16H,7H2,1-5H3/b13-6+/t15-/m0/s1.
What are the key properties of (E,3S)-3-[dimethyl(phenyl)silyl]-4-methylhex-4-en-3-ol?
(E,3S)-3-[dimethyl(phenyl)silyl]-4-methylhex-4-en-3-ol has a molecular weight of 248.44 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3S)-3-[dimethyl(phenyl)silyl]-4-methylhex-4-en-3-ol is sourced from PubChem (CID 154723365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).