(3S,4R,5R,6R)-5-methoxy-6-phenylmethoxy-4-(2-trimethylsilylethynyl)-1-oxaspiro[2.5]octan-4-ol

C20H28O4Si — CID 10247993

IUPAC(3S,4R,5R,6R)-5-methoxy-6-phenylmethoxy-4-(2-trimethylsilylethynyl)-1-oxaspiro[2.5]octan-4-ol
SMILESCO[C@@H]1[C@H](OCc2ccccc2)CC[C@]2(CO2)[C@@]1(O)C#C[Si](C)(C)C
InChIInChI=1S/C20H28O4Si/c1-22-18-17(23-14-16-8-6-5-7-9-16)10-11-19(15-24-19)20(18,21)12-13-25(2,3)4/h5-9,17-18,21H,10-11,14-15H2,1-4H3/t17-,18-,19+,20-/m1/s1
InChIKeyHCPMYYGJGBANEB-YSTOQKLRSA-N
MW360.53 g/mol
LogP2.76
Rot. Bonds4

About (3S,4R,5R,6R)-5-methoxy-6-phenylmethoxy-4-(2-trimethylsilylethynyl)-1-oxaspiro[2.5]octan-4-ol

(3S,4R,5R,6R)-5-methoxy-6-phenylmethoxy-4-(2-trimethylsilylethynyl)-1-oxaspiro[2.5]octan-4-ol (PubChem CID 10247993) has the molecular formula C20H28O4Si and a molecular weight of 360.53 g/mol. Its IUPAC name is (3S,4R,5R,6R)-5-methoxy-6-phenylmethoxy-4-(2-trimethylsilylethynyl)-1-oxaspiro[2.5]octan-4-ol.

Molecular Properties

Compound Name(3S,4R,5R,6R)-5-methoxy-6-phenylmethoxy-4-(2-trimethylsilylethynyl)-1-oxaspiro[2.5]octan-4-ol
PubChem CID10247993
Molecular FormulaC20H28O4Si
Molecular Weight360.53 g/mol
Exact Mass360.18
IUPAC Name(3S,4R,5R,6R)-5-methoxy-6-phenylmethoxy-4-(2-trimethylsilylethynyl)-1-oxaspiro[2.5]octan-4-ol
SMILESCO[C@@H]1[C@H](OCc2ccccc2)CC[C@]2(CO2)[C@@]1(O)C#C[Si](C)(C)C
InChIInChI=1S/C20H28O4Si/c1-22-18-17(23-14-16-8-6-5-7-9-16)10-11-19(15-24-19)20(18,21)12-13-25(2,3)4/h5-9,17-18,21H,10-11,14-15H2,1-4H3/t17-,18-,19+,20-/m1/s1
InChIKeyHCPMYYGJGBANEB-YSTOQKLRSA-N
XLogP2.76
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.53
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3S,4R,5R,6R)-5-methoxy-6-phenylmethoxy-4-(2-trimethylsilylethynyl)-1-oxaspiro[2.5]octan-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

(3S,4R,5R,6R)-4-ethenyl-5-methoxy-6-phenylmethoxy-1-oxaspiro[2.5]octan-4-ol
CID 10401963
(3R,4S,5S)-2-methyl-3,4,5-tris(phenylmethoxy)oxan-2-ol
CID 122386595
(1R,2S,3S)-2-methoxy-3-phenylmethoxycyclopentan-1-ol
CID 139810577
ethane;8-phenylmethoxy-1,4-dioxaspiro[4.5]decane
CID 143382520
[(1R,2S)-2-methylcyclohexyl]oxymethylbenzene
CID 168960565
[(1R,2R)-2-methoxycyclopropyl]oxymethylbenzene
CID 163224715
(3R,4S)-3,7,7-trimethyl-4-phenylmethoxyoxepan-3-ol
CID 11311604
1-(aminomethyl)-4-phenylmethoxycyclohexan-1-ol;hydrochloride
CID 69471607
(3R,4S,5R)-2-bromo-3,4,5-tris(phenylmethoxy)oxan-2-ol
CID 54179875
cis-(1R,2S)-2-phenylmethoxycyclohexan-1-ol
CID 10262402
1-methyl-2-phenylmethoxycyclobutan-1-ol
CID 154122310
cis-(1S,2S)-1-methyl-2-phenylmethoxycyclobutan-1-ol
CID 167259654

Frequently Asked Questions

What is the IUPAC name of (3S,4R,5R,6R)-5-methoxy-6-phenylmethoxy-4-(2-trimethylsilylethynyl)-1-oxaspiro[2.5]octan-4-ol?
The IUPAC name of (3S,4R,5R,6R)-5-methoxy-6-phenylmethoxy-4-(2-trimethylsilylethynyl)-1-oxaspiro[2.5]octan-4-ol (CID 10247993) is (3S,4R,5R,6R)-5-methoxy-6-phenylmethoxy-4-(2-trimethylsilylethynyl)-1-oxaspiro[2.5]octan-4-ol.
What is the SMILES notation for (3S,4R,5R,6R)-5-methoxy-6-phenylmethoxy-4-(2-trimethylsilylethynyl)-1-oxaspiro[2.5]octan-4-ol?
The canonical SMILES for (3S,4R,5R,6R)-5-methoxy-6-phenylmethoxy-4-(2-trimethylsilylethynyl)-1-oxaspiro[2.5]octan-4-ol is CO[C@@H]1[C@H](OCc2ccccc2)CC[C@]2(CO2)[C@@]1(O)C#C[Si](C)(C)C.
What is the InChIKey of (3S,4R,5R,6R)-5-methoxy-6-phenylmethoxy-4-(2-trimethylsilylethynyl)-1-oxaspiro[2.5]octan-4-ol?
The InChIKey is HCPMYYGJGBANEB-YSTOQKLRSA-N. The full InChI is InChI=1S/C20H28O4Si/c1-22-18-17(23-14-16-8-6-5-7-9-16)10-11-19(15-24-19)20(18,21)12-13-25(2,3)4/h5-9,17-18,21H,10-11,14-15H2,1-4H3/t17-,18-,19+,20-/m1/s1.
What are the key properties of (3S,4R,5R,6R)-5-methoxy-6-phenylmethoxy-4-(2-trimethylsilylethynyl)-1-oxaspiro[2.5]octan-4-ol?
(3S,4R,5R,6R)-5-methoxy-6-phenylmethoxy-4-(2-trimethylsilylethynyl)-1-oxaspiro[2.5]octan-4-ol has a molecular weight of 360.53 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,5R,6R)-5-methoxy-6-phenylmethoxy-4-(2-trimethylsilylethynyl)-1-oxaspiro[2.5]octan-4-ol is sourced from PubChem (CID 10247993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).