(3R)-1-[benzhydryl(dimethyl)silyl]hept-1-yn-3-ol

C22H28OSi — CID 102018356

IUPAC(3R)-1-[benzhydryl(dimethyl)silyl]hept-1-yn-3-ol
SMILESCCCC[C@@H](O)C#C[Si](C)(C)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H28OSi/c1-4-5-16-21(23)17-18-24(2,3)22(19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15,21-23H,4-5,16H2,1-3H3/t21-/m1/s1
InChIKeyLZXVQHZAEZXSBW-OAQYLSRUSA-N
MW336.55 g/mol
LogP5.16
Rot. Bonds6

About (3R)-1-[benzhydryl(dimethyl)silyl]hept-1-yn-3-ol

(3R)-1-[benzhydryl(dimethyl)silyl]hept-1-yn-3-ol (PubChem CID 102018356) has the molecular formula C22H28OSi and a molecular weight of 336.55 g/mol. Its IUPAC name is (3R)-1-[benzhydryl(dimethyl)silyl]hept-1-yn-3-ol.

Molecular Properties

Compound Name(3R)-1-[benzhydryl(dimethyl)silyl]hept-1-yn-3-ol
PubChem CID102018356
Molecular FormulaC22H28OSi
Molecular Weight336.55 g/mol
Exact Mass336.19
IUPAC Name(3R)-1-[benzhydryl(dimethyl)silyl]hept-1-yn-3-ol
SMILESCCCC[C@@H](O)C#C[Si](C)(C)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H28OSi/c1-4-5-16-21(23)17-18-24(2,3)22(19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15,21-23H,4-5,16H2,1-3H3/t21-/m1/s1
InChIKeyLZXVQHZAEZXSBW-OAQYLSRUSA-N
XLogP5.16
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.55
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

trimethyl-[(3R)-3-phenylhept-1-ynyl]silane
CID 102389836
(3S)-1-trimethylsilylhept-1-yn-3-ol
CID 12623486
(1S)-1-phenylpentan-1-ol
CID 6992754
(2R)-2-phenylheptan-3-ol
CID 91322845
1,1-diphenylheptan-3-ol
CID 132530442
(1R)-1-phenyloctan-1-ol
CID 12794259
(3R)-1-trimethylsilylpentadec-1-yn-3-ol
CID 10946406
(3S)-1-trimethylsilylpentadec-1-yn-3-ol
CID 11449349
[(E)-8-phenyldodec-6-en-5-yl]benzene
CID 14267465
(1S,2R)-1-phenyl-2-(1-trimethylsilylethenyl)hexan-1-ol
CID 10446181
1-(2-methylphenyl)hept-1-yn-3-ol
CID 146003646
10-phenyltetradecan-5-ylbenzene
CID 22891787

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[benzhydryl(dimethyl)silyl]hept-1-yn-3-ol?
The IUPAC name of (3R)-1-[benzhydryl(dimethyl)silyl]hept-1-yn-3-ol (CID 102018356) is (3R)-1-[benzhydryl(dimethyl)silyl]hept-1-yn-3-ol.
What is the SMILES notation for (3R)-1-[benzhydryl(dimethyl)silyl]hept-1-yn-3-ol?
The canonical SMILES for (3R)-1-[benzhydryl(dimethyl)silyl]hept-1-yn-3-ol is CCCC[C@@H](O)C#C[Si](C)(C)C(c1ccccc1)c1ccccc1.
What is the InChIKey of (3R)-1-[benzhydryl(dimethyl)silyl]hept-1-yn-3-ol?
The InChIKey is LZXVQHZAEZXSBW-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H28OSi/c1-4-5-16-21(23)17-18-24(2,3)22(19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15,21-23H,4-5,16H2,1-3H3/t21-/m1/s1.
What are the key properties of (3R)-1-[benzhydryl(dimethyl)silyl]hept-1-yn-3-ol?
(3R)-1-[benzhydryl(dimethyl)silyl]hept-1-yn-3-ol has a molecular weight of 336.55 g/mol, XLogP of 5.16, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[benzhydryl(dimethyl)silyl]hept-1-yn-3-ol is sourced from PubChem (CID 102018356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).