(2S,3S,4S,5S)-2,4-dimethyl-7-phenylmethoxy-5-triethylsilyloxyheptane-1,3-diol

C22H40O4Si — CID 10927398

IUPAC(2S,3S,4S,5S)-2,4-dimethyl-7-phenylmethoxy-5-triethylsilyloxyheptane-1,3-diol
SMILESCC[Si](CC)(CC)O[C@@H](CCOCc1ccccc1)[C@@H](C)[C@@H](O)[C@@H](C)CO
InChIInChI=1S/C22H40O4Si/c1-6-27(7-2,8-3)26-21(19(5)22(24)18(4)16-23)14-15-25-17-20-12-10-9-11-13-20/h9-13,18-19,21-24H,6-8,14-17H2,1-5H3/t18-,19+,21-,22-/m0/s1
InChIKeySUYJWRFUOKRPOP-MXNKGDRCSA-N
MW396.64 g/mol
LogP4.61
Rot. Bonds14

About (2S,3S,4S,5S)-2,4-dimethyl-7-phenylmethoxy-5-triethylsilyloxyheptane-1,3-diol

(2S,3S,4S,5S)-2,4-dimethyl-7-phenylmethoxy-5-triethylsilyloxyheptane-1,3-diol (PubChem CID 10927398) has the molecular formula C22H40O4Si and a molecular weight of 396.64 g/mol. Its IUPAC name is (2S,3S,4S,5S)-2,4-dimethyl-7-phenylmethoxy-5-triethylsilyloxyheptane-1,3-diol.

Molecular Properties

Compound Name(2S,3S,4S,5S)-2,4-dimethyl-7-phenylmethoxy-5-triethylsilyloxyheptane-1,3-diol
PubChem CID10927398
Molecular FormulaC22H40O4Si
Molecular Weight396.64 g/mol
Exact Mass396.27
IUPAC Name(2S,3S,4S,5S)-2,4-dimethyl-7-phenylmethoxy-5-triethylsilyloxyheptane-1,3-diol
SMILESCC[Si](CC)(CC)O[C@@H](CCOCc1ccccc1)[C@@H](C)[C@@H](O)[C@@H](C)CO
InChIInChI=1S/C22H40O4Si/c1-6-27(7-2,8-3)26-21(19(5)22(24)18(4)16-23)14-15-25-17-20-12-10-9-11-13-20/h9-13,18-19,21-24H,6-8,14-17H2,1-5H3/t18-,19+,21-,22-/m0/s1
InChIKeySUYJWRFUOKRPOP-MXNKGDRCSA-N
XLogP4.61
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.64
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S,3S,4S,5S)-2,4-dimethyl-7-phenylmethoxy-5-triethylsilyloxyheptane-1,3-diol 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

(2R,3R)-2-methyl-5-phenylmethoxy-3-triethylsilyloxypentan-1-ol
CID 71734812
(E,4S,5S)-4-methyl-7-phenylmethoxy-5-triethylsilyloxyhept-2-en-1-ol
CID 11824661
(4S,5S)-4-methyl-7-phenylmethoxy-5-triethylsilyloxyheptanal
CID 11382954
[(3S,4R,5R,6R)-7-(benzenesulfonyl)-4,6-dimethyl-1-phenylmethoxy-5-triethylsilyloxyheptan-3-yl]oxy-triethylsilane
CID 11017650
(2S,3R)-2-methyl-5-phenylmethoxypentane-1,3-diol
CID 13113147
(3S,4R,5R,6S,7S,8R)-3-methoxy-4,6,8-trimethyl-1-phenylmethoxyundecane-5,7-diol
CID 53248568
methyl (E,4S,5R)-4-methyl-7-phenylmethoxy-5-triethylsilyloxyhept-2-enoate
CID 71733589
(E,4R,5S)-4-methyl-6-phenylmethoxy-5-triethylsilyloxyhex-2-en-1-ol
CID 15396344
(3S,4S,5S,6R)-4,6-dimethyl-10-phenylmethoxydecane-1,3,5-triol
CID 102077009
triethyl-[(E)-2-methyl-10-phenylmethoxydec-5-en-3-yl]oxysilane
CID 102122621
(2R,3R)-2-methyl-4-phenylmethoxybutane-1,3-diol
CID 13112308
(4R)-1-phenylmethoxyhexane-3,4-diol
CID 165032455

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S,5S)-2,4-dimethyl-7-phenylmethoxy-5-triethylsilyloxyheptane-1,3-diol?
The IUPAC name of (2S,3S,4S,5S)-2,4-dimethyl-7-phenylmethoxy-5-triethylsilyloxyheptane-1,3-diol (CID 10927398) is (2S,3S,4S,5S)-2,4-dimethyl-7-phenylmethoxy-5-triethylsilyloxyheptane-1,3-diol.
What is the SMILES notation for (2S,3S,4S,5S)-2,4-dimethyl-7-phenylmethoxy-5-triethylsilyloxyheptane-1,3-diol?
The canonical SMILES for (2S,3S,4S,5S)-2,4-dimethyl-7-phenylmethoxy-5-triethylsilyloxyheptane-1,3-diol is CC[Si](CC)(CC)O[C@@H](CCOCc1ccccc1)[C@@H](C)[C@@H](O)[C@@H](C)CO.
What is the InChIKey of (2S,3S,4S,5S)-2,4-dimethyl-7-phenylmethoxy-5-triethylsilyloxyheptane-1,3-diol?
The InChIKey is SUYJWRFUOKRPOP-MXNKGDRCSA-N. The full InChI is InChI=1S/C22H40O4Si/c1-6-27(7-2,8-3)26-21(19(5)22(24)18(4)16-23)14-15-25-17-20-12-10-9-11-13-20/h9-13,18-19,21-24H,6-8,14-17H2,1-5H3/t18-,19+,21-,22-/m0/s1.
What are the key properties of (2S,3S,4S,5S)-2,4-dimethyl-7-phenylmethoxy-5-triethylsilyloxyheptane-1,3-diol?
(2S,3S,4S,5S)-2,4-dimethyl-7-phenylmethoxy-5-triethylsilyloxyheptane-1,3-diol has a molecular weight of 396.64 g/mol, XLogP of 4.61, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S,5S)-2,4-dimethyl-7-phenylmethoxy-5-triethylsilyloxyheptane-1,3-diol is sourced from PubChem (CID 10927398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).