(1E,3S,4R,6E)-1-[dimethyl(phenyl)silyl]-3-methyl-7-phenylhepta-1,6-dien-4-ol

C22H28OSi — CID 134947259

IUPAC(1E,3S,4R,6E)-1-[dimethyl(phenyl)silyl]-3-methyl-7-phenylhepta-1,6-dien-4-ol
SMILESC[C@@H](/C=C/[Si](C)(C)c1ccccc1)[C@H](O)C/C=C/c1ccccc1
InChIInChI=1S/C22H28OSi/c1-19(17-18-24(2,3)21-14-8-5-9-15-21)22(23)16-10-13-20-11-6-4-7-12-20/h4-15,17-19,22-23H,16H2,1-3H3/b13-10+,18-17+/t19-,22+/m0/s1
InChIKeyKORMXOJHKNTWPT-MXMAXJAMSA-N
MW336.55 g/mol
LogP4.80
Rot. Bonds7

About (1E,3S,4R,6E)-1-[dimethyl(phenyl)silyl]-3-methyl-7-phenylhepta-1,6-dien-4-ol

(1E,3S,4R,6E)-1-[dimethyl(phenyl)silyl]-3-methyl-7-phenylhepta-1,6-dien-4-ol (PubChem CID 134947259) has the molecular formula C22H28OSi and a molecular weight of 336.55 g/mol. Its IUPAC name is (1E,3S,4R,6E)-1-[dimethyl(phenyl)silyl]-3-methyl-7-phenylhepta-1,6-dien-4-ol.

Molecular Properties

Compound Name(1E,3S,4R,6E)-1-[dimethyl(phenyl)silyl]-3-methyl-7-phenylhepta-1,6-dien-4-ol
PubChem CID134947259
Molecular FormulaC22H28OSi
Molecular Weight336.55 g/mol
Exact Mass336.19
IUPAC Name(1E,3S,4R,6E)-1-[dimethyl(phenyl)silyl]-3-methyl-7-phenylhepta-1,6-dien-4-ol
SMILESC[C@@H](/C=C/[Si](C)(C)c1ccccc1)[C@H](O)C/C=C/c1ccccc1
InChIInChI=1S/C22H28OSi/c1-19(17-18-24(2,3)21-14-8-5-9-15-21)22(23)16-10-13-20-11-6-4-7-12-20/h4-15,17-19,22-23H,16H2,1-3H3/b13-10+,18-17+/t19-,22+/m0/s1
InChIKeyKORMXOJHKNTWPT-MXMAXJAMSA-N
XLogP4.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.55
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1E,3S,4R,6E)-1-[dimethyl(phenyl)silyl]-3-methyl-7-phenylhepta-1,6-dien-4-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

dimethyl-phenyl-[(Z)-5-phenylpent-4-en-2-yl]oxysilane
CID 158977605
[4-[dimethyl-[(Z)-2-phenylethenyl]silyl]phenyl]-dimethyl-[(Z)-2-phenylethenyl]silane
CID 101344758
[(E)-3,5-dimethylhex-1-enyl]-dimethyl-phenylsilane
CID 10514612
(1E,5E)-1-phenylhepta-1,5-dien-4-ol
CID 100975516
4-chloropent-1-enylbenzene
CID 66808272
dimethyl-phenyl-[(E)-3-phenylprop-2-enyl]silane
CID 11658889
(E)-5-phenylpent-4-en-2-amine
CID 55254237
dimethyl-phenyl-[(Z)-3-phenylprop-2-enyl]silane
CID 102586986
trihydroxy(3-phenylprop-2-enyl)phosphanium
CID 70142410
dimethyl-penta-1,4-dienyl-phenylsilane
CID 69411193
[(E,2R)-5-phenylpent-4-en-2-yl]benzene
CID 102293607
[(Z)-2-[3-[(Z)-2-[dimethyl(phenyl)silyl]ethenyl]phenyl]ethenyl]-dimethyl-phenylsilane
CID 11718251

Frequently Asked Questions

What is the IUPAC name of (1E,3S,4R,6E)-1-[dimethyl(phenyl)silyl]-3-methyl-7-phenylhepta-1,6-dien-4-ol?
The IUPAC name of (1E,3S,4R,6E)-1-[dimethyl(phenyl)silyl]-3-methyl-7-phenylhepta-1,6-dien-4-ol (CID 134947259) is (1E,3S,4R,6E)-1-[dimethyl(phenyl)silyl]-3-methyl-7-phenylhepta-1,6-dien-4-ol.
What is the SMILES notation for (1E,3S,4R,6E)-1-[dimethyl(phenyl)silyl]-3-methyl-7-phenylhepta-1,6-dien-4-ol?
The canonical SMILES for (1E,3S,4R,6E)-1-[dimethyl(phenyl)silyl]-3-methyl-7-phenylhepta-1,6-dien-4-ol is C[C@@H](/C=C/[Si](C)(C)c1ccccc1)[C@H](O)C/C=C/c1ccccc1.
What is the InChIKey of (1E,3S,4R,6E)-1-[dimethyl(phenyl)silyl]-3-methyl-7-phenylhepta-1,6-dien-4-ol?
The InChIKey is KORMXOJHKNTWPT-MXMAXJAMSA-N. The full InChI is InChI=1S/C22H28OSi/c1-19(17-18-24(2,3)21-14-8-5-9-15-21)22(23)16-10-13-20-11-6-4-7-12-20/h4-15,17-19,22-23H,16H2,1-3H3/b13-10+,18-17+/t19-,22+/m0/s1.
What are the key properties of (1E,3S,4R,6E)-1-[dimethyl(phenyl)silyl]-3-methyl-7-phenylhepta-1,6-dien-4-ol?
(1E,3S,4R,6E)-1-[dimethyl(phenyl)silyl]-3-methyl-7-phenylhepta-1,6-dien-4-ol has a molecular weight of 336.55 g/mol, XLogP of 4.80, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3S,4R,6E)-1-[dimethyl(phenyl)silyl]-3-methyl-7-phenylhepta-1,6-dien-4-ol is sourced from PubChem (CID 134947259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).