(1E,3S,4S)-4-tert-butyl-1-[dimethyl(phenyl)silyl]hexa-1,5-dien-3-ol

C18H28OSi — CID 102328927

IUPAC(1E,3S,4S)-4-tert-butyl-1-[dimethyl(phenyl)silyl]hexa-1,5-dien-3-ol
SMILESC=C[C@H]([C@H](O)/C=C/[Si](C)(C)c1ccccc1)C(C)(C)C
InChIInChI=1S/C18H28OSi/c1-7-16(18(2,3)4)17(19)13-14-20(5,6)15-11-9-8-10-12-15/h7-14,16-17,19H,1H2,2-6H3/b14-13+/t16-,17-/m1/s1
InChIKeyIZQXKDZJLCXXDW-UEWLMQCVSA-N
MW288.51 g/mol
LogP3.91
Rot. Bonds5

About (1E,3S,4S)-4-tert-butyl-1-[dimethyl(phenyl)silyl]hexa-1,5-dien-3-ol

(1E,3S,4S)-4-tert-butyl-1-[dimethyl(phenyl)silyl]hexa-1,5-dien-3-ol (PubChem CID 102328927) has the molecular formula C18H28OSi and a molecular weight of 288.51 g/mol. Its IUPAC name is (1E,3S,4S)-4-tert-butyl-1-[dimethyl(phenyl)silyl]hexa-1,5-dien-3-ol.

Molecular Properties

Compound Name(1E,3S,4S)-4-tert-butyl-1-[dimethyl(phenyl)silyl]hexa-1,5-dien-3-ol
PubChem CID102328927
Molecular FormulaC18H28OSi
Molecular Weight288.51 g/mol
Exact Mass288.19
IUPAC Name(1E,3S,4S)-4-tert-butyl-1-[dimethyl(phenyl)silyl]hexa-1,5-dien-3-ol
SMILESC=C[C@H]([C@H](O)/C=C/[Si](C)(C)c1ccccc1)C(C)(C)C
InChIInChI=1S/C18H28OSi/c1-7-16(18(2,3)4)17(19)13-14-20(5,6)15-11-9-8-10-12-15/h7-14,16-17,19H,1H2,2-6H3/b14-13+/t16-,17-/m1/s1
InChIKeyIZQXKDZJLCXXDW-UEWLMQCVSA-N
XLogP3.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.51
LogP ≤ 53.91
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'}

Analyze (1E,3S,4S)-4-tert-butyl-1-[dimethyl(phenyl)silyl]hexa-1,5-dien-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E,3S)-1-[dimethyl(phenyl)silyl]pent-1-en-3-ol
CID 11775664
dimethyl-penta-1,4-dienyl-phenylsilane
CID 69411193
(1E,3S,4S)-1-[dimethyl(phenyl)silyl]-2,4-dimethylhexa-1,5-dien-3-ol
CID 162415777
[(1E)-buta-1,3-dienyl]-dimethyl-phenylsilane
CID 11263945
[(3S)-4,4-dimethylpent-1-en-3-yl]-dimethyl-phenylsilane
CID 71712408
(2R,3R)-2-[dimethyl(phenyl)silyl]-3-methylpent-4-en-2-ol
CID 102406326
[(E)-3,5-dimethylhex-1-enyl]-dimethyl-phenylsilane
CID 10514612
(4-tert-butylphenyl)-[(1Z,3E)-4-[dimethyl(phenyl)silyl]buta-1,3-dienyl]-dimethylsilane
CID 102085704
(E,2R)-4-[dimethyl(phenyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]but-3-enoic acid
CID 139263768
(1E,3S,4R,6E)-1-[dimethyl(phenyl)silyl]-3-methyl-7-phenylhepta-1,6-dien-4-ol
CID 134947259
(E)-3-[dimethyl(phenyl)silyl]prop-2-enoic acid
CID 10104447
6-[hydroxy(diphenyl)silyl]-6-methylhept-1-ene-3-thiol
CID 89032425

Frequently Asked Questions

What is the IUPAC name of (1E,3S,4S)-4-tert-butyl-1-[dimethyl(phenyl)silyl]hexa-1,5-dien-3-ol?
The IUPAC name of (1E,3S,4S)-4-tert-butyl-1-[dimethyl(phenyl)silyl]hexa-1,5-dien-3-ol (CID 102328927) is (1E,3S,4S)-4-tert-butyl-1-[dimethyl(phenyl)silyl]hexa-1,5-dien-3-ol.
What is the SMILES notation for (1E,3S,4S)-4-tert-butyl-1-[dimethyl(phenyl)silyl]hexa-1,5-dien-3-ol?
The canonical SMILES for (1E,3S,4S)-4-tert-butyl-1-[dimethyl(phenyl)silyl]hexa-1,5-dien-3-ol is C=C[C@H]([C@H](O)/C=C/[Si](C)(C)c1ccccc1)C(C)(C)C.
What is the InChIKey of (1E,3S,4S)-4-tert-butyl-1-[dimethyl(phenyl)silyl]hexa-1,5-dien-3-ol?
The InChIKey is IZQXKDZJLCXXDW-UEWLMQCVSA-N. The full InChI is InChI=1S/C18H28OSi/c1-7-16(18(2,3)4)17(19)13-14-20(5,6)15-11-9-8-10-12-15/h7-14,16-17,19H,1H2,2-6H3/b14-13+/t16-,17-/m1/s1.
What are the key properties of (1E,3S,4S)-4-tert-butyl-1-[dimethyl(phenyl)silyl]hexa-1,5-dien-3-ol?
(1E,3S,4S)-4-tert-butyl-1-[dimethyl(phenyl)silyl]hexa-1,5-dien-3-ol has a molecular weight of 288.51 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3S,4S)-4-tert-butyl-1-[dimethyl(phenyl)silyl]hexa-1,5-dien-3-ol is sourced from PubChem (CID 102328927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).