(1S,2R)-1-phenyl-2-(1-trimethylsilylethenyl)hexan-1-ol

C17H28OSi — CID 10446181

IUPAC(1S,2R)-1-phenyl-2-(1-trimethylsilylethenyl)hexan-1-ol
SMILESC=C([C@H](CCCC)[C@H](O)c1ccccc1)[Si](C)(C)C
InChIInChI=1S/C17H28OSi/c1-6-7-13-16(14(2)19(3,4)5)17(18)15-11-9-8-10-12-15/h8-12,16-18H,2,6-7,13H2,1,3-5H3/t16-,17+/m0/s1
InChIKeyQVWMDISVXBKJEU-DLBZAZTESA-N
MW276.50 g/mol
LogP4.96
Rot. Bonds7

About (1S,2R)-1-phenyl-2-(1-trimethylsilylethenyl)hexan-1-ol

(1S,2R)-1-phenyl-2-(1-trimethylsilylethenyl)hexan-1-ol (PubChem CID 10446181) has the molecular formula C17H28OSi and a molecular weight of 276.50 g/mol. Its IUPAC name is (1S,2R)-1-phenyl-2-(1-trimethylsilylethenyl)hexan-1-ol.

Molecular Properties

Compound Name(1S,2R)-1-phenyl-2-(1-trimethylsilylethenyl)hexan-1-ol
PubChem CID10446181
Molecular FormulaC17H28OSi
Molecular Weight276.50 g/mol
Exact Mass276.19
IUPAC Name(1S,2R)-1-phenyl-2-(1-trimethylsilylethenyl)hexan-1-ol
SMILESC=C([C@H](CCCC)[C@H](O)c1ccccc1)[Si](C)(C)C
InChIInChI=1S/C17H28OSi/c1-6-7-13-16(14(2)19(3,4)5)17(18)15-11-9-8-10-12-15/h8-12,16-18H,2,6-7,13H2,1,3-5H3/t16-,17+/m0/s1
InChIKeyQVWMDISVXBKJEU-DLBZAZTESA-N
XLogP4.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.50
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1S,2R)-2-methyl-1-phenyl-3-trimethylsilylbut-3-en-1-ol
CID 10857402
(1S)-1-phenylpentan-1-ol
CID 6992754
(1S)-2-ethenyl-1-phenylhexan-1-ol
CID 135057240
ethyl 2-[hydroxy(phenyl)methyl]octanoate
CID 101333316
(1R,2R)-2-(aminomethyl)-1-phenylhexan-1-ol
CID 10774706
(5R)-5-[(S)-hydroxy(phenyl)methyl]undec-1-en-4-one
CID 10778735
2-fluorohept-1-en-3-ylbenzene
CID 102089822
(1S,2R,3S,4S)-2-butyl-1-phenylheptane-1,3,4-triol
CID 101411892
1-phenyl-2-propylpentan-1-ol
CID 82987900
1,1-diphenylheptan-3-ol
CID 132530442
(2R)-2-phenylheptan-3-ol
CID 91322845
(1R,2R)-2-ethenyl-1-phenyloctan-1-ol
CID 13312187

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-phenyl-2-(1-trimethylsilylethenyl)hexan-1-ol?
The IUPAC name of (1S,2R)-1-phenyl-2-(1-trimethylsilylethenyl)hexan-1-ol (CID 10446181) is (1S,2R)-1-phenyl-2-(1-trimethylsilylethenyl)hexan-1-ol.
What is the SMILES notation for (1S,2R)-1-phenyl-2-(1-trimethylsilylethenyl)hexan-1-ol?
The canonical SMILES for (1S,2R)-1-phenyl-2-(1-trimethylsilylethenyl)hexan-1-ol is C=C([C@H](CCCC)[C@H](O)c1ccccc1)[Si](C)(C)C.
What is the InChIKey of (1S,2R)-1-phenyl-2-(1-trimethylsilylethenyl)hexan-1-ol?
The InChIKey is QVWMDISVXBKJEU-DLBZAZTESA-N. The full InChI is InChI=1S/C17H28OSi/c1-6-7-13-16(14(2)19(3,4)5)17(18)15-11-9-8-10-12-15/h8-12,16-18H,2,6-7,13H2,1,3-5H3/t16-,17+/m0/s1.
What are the key properties of (1S,2R)-1-phenyl-2-(1-trimethylsilylethenyl)hexan-1-ol?
(1S,2R)-1-phenyl-2-(1-trimethylsilylethenyl)hexan-1-ol has a molecular weight of 276.50 g/mol, XLogP of 4.96, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-phenyl-2-(1-trimethylsilylethenyl)hexan-1-ol is sourced from PubChem (CID 10446181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).