(3R,5R)-5-methyl-1-phenylmethoxy-7-trimethylsilylhept-6-yn-3-ol

C18H28O2Si — CID 11456085

IUPAC(3R,5R)-5-methyl-1-phenylmethoxy-7-trimethylsilylhept-6-yn-3-ol
SMILESC[C@@H](C#C[Si](C)(C)C)C[C@@H](O)CCOCc1ccccc1
InChIInChI=1S/C18H28O2Si/c1-16(11-13-21(2,3)4)14-18(19)10-12-20-15-17-8-6-5-7-9-17/h5-9,16,18-19H,10,12,14-15H2,1-4H3/t16-,18-/m0/s1
InChIKeyUGRYLJPZVUDIAG-WMZOPIPTSA-N
MW304.51 g/mol
LogP3.86
Rot. Bonds7

About (3R,5R)-5-methyl-1-phenylmethoxy-7-trimethylsilylhept-6-yn-3-ol

(3R,5R)-5-methyl-1-phenylmethoxy-7-trimethylsilylhept-6-yn-3-ol (PubChem CID 11456085) has the molecular formula C18H28O2Si and a molecular weight of 304.51 g/mol. Its IUPAC name is (3R,5R)-5-methyl-1-phenylmethoxy-7-trimethylsilylhept-6-yn-3-ol.

Molecular Properties

Compound Name(3R,5R)-5-methyl-1-phenylmethoxy-7-trimethylsilylhept-6-yn-3-ol
PubChem CID11456085
Molecular FormulaC18H28O2Si
Molecular Weight304.51 g/mol
Exact Mass304.19
IUPAC Name(3R,5R)-5-methyl-1-phenylmethoxy-7-trimethylsilylhept-6-yn-3-ol
SMILESC[C@@H](C#C[Si](C)(C)C)C[C@@H](O)CCOCc1ccccc1
InChIInChI=1S/C18H28O2Si/c1-16(11-13-21(2,3)4)14-18(19)10-12-20-15-17-8-6-5-7-9-17/h5-9,16,18-19H,10,12,14-15H2,1-4H3/t16-,18-/m0/s1
InChIKeyUGRYLJPZVUDIAG-WMZOPIPTSA-N
XLogP3.86
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.51
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3R,5R)-5-methyl-1-phenylmethoxy-7-trimethylsilylhept-6-yn-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

5-phenylmethoxy-1-trimethylsilylpent-1-yn-3-ol
CID 57078353
5-methyl-1-phenylmethoxyhexan-3-ol
CID 121302735
(2S)-1,4-bis(phenylmethoxy)butan-2-ol
CID 14814227
(4S)-6-methyl-1-phenylmethoxyheptan-4-ol
CID 11322322
(3R)-1-phenylmethoxyhept-5-yn-3-ol
CID 142182731
(3R)-5-phenylmethoxypentane-1,3-diol
CID 73332901
1-(2-phenylmethoxyethoxy)ethanol
CID 121292346
5-(2-phenylmethoxyethoxy)pentane-1,3-diol
CID 66870835
6-methyl-1-phenylmethoxyhept-6-en-3-ol
CID 131052631
(2S,3R)-2-methyl-5-phenylmethoxypentane-1,3-diol
CID 13113147
4-hydroxy-6-phenylmethoxyhexanoic acid
CID 130913832
1-amino-3-phenylmethoxypropan-1-ol
CID 141197140

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-5-methyl-1-phenylmethoxy-7-trimethylsilylhept-6-yn-3-ol?
The IUPAC name of (3R,5R)-5-methyl-1-phenylmethoxy-7-trimethylsilylhept-6-yn-3-ol (CID 11456085) is (3R,5R)-5-methyl-1-phenylmethoxy-7-trimethylsilylhept-6-yn-3-ol.
What is the SMILES notation for (3R,5R)-5-methyl-1-phenylmethoxy-7-trimethylsilylhept-6-yn-3-ol?
The canonical SMILES for (3R,5R)-5-methyl-1-phenylmethoxy-7-trimethylsilylhept-6-yn-3-ol is C[C@@H](C#C[Si](C)(C)C)C[C@@H](O)CCOCc1ccccc1.
What is the InChIKey of (3R,5R)-5-methyl-1-phenylmethoxy-7-trimethylsilylhept-6-yn-3-ol?
The InChIKey is UGRYLJPZVUDIAG-WMZOPIPTSA-N. The full InChI is InChI=1S/C18H28O2Si/c1-16(11-13-21(2,3)4)14-18(19)10-12-20-15-17-8-6-5-7-9-17/h5-9,16,18-19H,10,12,14-15H2,1-4H3/t16-,18-/m0/s1.
What are the key properties of (3R,5R)-5-methyl-1-phenylmethoxy-7-trimethylsilylhept-6-yn-3-ol?
(3R,5R)-5-methyl-1-phenylmethoxy-7-trimethylsilylhept-6-yn-3-ol has a molecular weight of 304.51 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-5-methyl-1-phenylmethoxy-7-trimethylsilylhept-6-yn-3-ol is sourced from PubChem (CID 11456085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).