(1E,3S,4S)-1-[dimethyl(phenyl)silyl]-2,4-dimethylhexa-1,5-dien-3-ol

C16H24OSi — CID 162415777

IUPAC(1E,3S,4S)-1-[dimethyl(phenyl)silyl]-2,4-dimethylhexa-1,5-dien-3-ol
SMILESC=C[C@H](C)[C@H](O)/C(C)=C/[Si](C)(C)c1ccccc1
InChIInChI=1S/C16H24OSi/c1-6-13(2)16(17)14(3)12-18(4,5)15-10-8-7-9-11-15/h6-13,16-17H,1H2,2-5H3/b14-12+/t13-,16-/m0/s1
InChIKeyMOUYIVHDFQVFBP-XRUBZXBOSA-N
MW260.45 g/mol
LogP3.27
Rot. Bonds5

About (1E,3S,4S)-1-[dimethyl(phenyl)silyl]-2,4-dimethylhexa-1,5-dien-3-ol

(1E,3S,4S)-1-[dimethyl(phenyl)silyl]-2,4-dimethylhexa-1,5-dien-3-ol (PubChem CID 162415777) has the molecular formula C16H24OSi and a molecular weight of 260.45 g/mol. Its IUPAC name is (1E,3S,4S)-1-[dimethyl(phenyl)silyl]-2,4-dimethylhexa-1,5-dien-3-ol.

Molecular Properties

Compound Name(1E,3S,4S)-1-[dimethyl(phenyl)silyl]-2,4-dimethylhexa-1,5-dien-3-ol
PubChem CID162415777
Molecular FormulaC16H24OSi
Molecular Weight260.45 g/mol
Exact Mass260.16
IUPAC Name(1E,3S,4S)-1-[dimethyl(phenyl)silyl]-2,4-dimethylhexa-1,5-dien-3-ol
SMILESC=C[C@H](C)[C@H](O)/C(C)=C/[Si](C)(C)c1ccccc1
InChIInChI=1S/C16H24OSi/c1-6-13(2)16(17)14(3)12-18(4,5)15-10-8-7-9-11-15/h6-13,16-17H,1H2,2-5H3/b14-12+/t13-,16-/m0/s1
InChIKeyMOUYIVHDFQVFBP-XRUBZXBOSA-N
XLogP3.27
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.45
LogP ≤ 53.27
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

[(1E)-buta-1,3-dienyl]-dimethyl-phenylsilane
CID 11263945
(1E,3S,4S)-4-tert-butyl-1-[dimethyl(phenyl)silyl]hexa-1,5-dien-3-ol
CID 102328927
(2R,3S)-2-hydroxy-3-methyl-1-phenylpent-4-en-1-one
CID 11735641
[(2R)-but-3-en-2-yl]-dimethyl-phenylsilane
CID 134947847
[(E)-3-ethenyl-2-phenylhex-1-enyl]-dimethyl-phenylsilane
CID 10881758
(E,3S)-1-[dimethyl(phenyl)silyl]pent-1-en-3-ol
CID 11775664
(E)-1-[dimethyl(phenyl)silyl]-4-methylpent-1-en-3-one
CID 23649548
trimethyl-[(1Z)-3-methyl-2-phenylpenta-1,4-dienyl]silane
CID 10609523
dimethyl-penta-1,4-dienyl-phenylsilane
CID 69411193
[(E)-4-[dimethyl(phenyl)silyl]-3-formylbut-3-en-2-yl] acetate
CID 177387999
(2R,3R)-2-[dimethyl(phenyl)silyl]-3-methylpent-4-en-2-ol
CID 102406326
(2S)-2-[dimethyl(phenyl)silyl]but-3-en-1-ol
CID 134955377

Frequently Asked Questions

What is the IUPAC name of (1E,3S,4S)-1-[dimethyl(phenyl)silyl]-2,4-dimethylhexa-1,5-dien-3-ol?
The IUPAC name of (1E,3S,4S)-1-[dimethyl(phenyl)silyl]-2,4-dimethylhexa-1,5-dien-3-ol (CID 162415777) is (1E,3S,4S)-1-[dimethyl(phenyl)silyl]-2,4-dimethylhexa-1,5-dien-3-ol.
What is the SMILES notation for (1E,3S,4S)-1-[dimethyl(phenyl)silyl]-2,4-dimethylhexa-1,5-dien-3-ol?
The canonical SMILES for (1E,3S,4S)-1-[dimethyl(phenyl)silyl]-2,4-dimethylhexa-1,5-dien-3-ol is C=C[C@H](C)[C@H](O)/C(C)=C/[Si](C)(C)c1ccccc1.
What is the InChIKey of (1E,3S,4S)-1-[dimethyl(phenyl)silyl]-2,4-dimethylhexa-1,5-dien-3-ol?
The InChIKey is MOUYIVHDFQVFBP-XRUBZXBOSA-N. The full InChI is InChI=1S/C16H24OSi/c1-6-13(2)16(17)14(3)12-18(4,5)15-10-8-7-9-11-15/h6-13,16-17H,1H2,2-5H3/b14-12+/t13-,16-/m0/s1.
What are the key properties of (1E,3S,4S)-1-[dimethyl(phenyl)silyl]-2,4-dimethylhexa-1,5-dien-3-ol?
(1E,3S,4S)-1-[dimethyl(phenyl)silyl]-2,4-dimethylhexa-1,5-dien-3-ol has a molecular weight of 260.45 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3S,4S)-1-[dimethyl(phenyl)silyl]-2,4-dimethylhexa-1,5-dien-3-ol is sourced from PubChem (CID 162415777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).