(4S,5S,6R)-5-methoxy-6-triethylsilyloxy-1-oxaspiro[2.5]octan-4-ol

C14H28O4Si — CID 134867210

IUPAC(4S,5S,6R)-5-methoxy-6-triethylsilyloxy-1-oxaspiro[2.5]octan-4-ol
SMILESCC[Si](CC)(CC)O[C@@H]1CCC2(CO2)[C@@H](O)[C@@H]1OC
InChIInChI=1S/C14H28O4Si/c1-5-19(6-2,7-3)18-11-8-9-14(10-17-14)13(15)12(11)16-4/h11-13,15H,5-10H2,1-4H3/t11-,12-,13+,14?/m1/s1
InChIKeyFXTGIIDNRHPYHH-HABKJSAYSA-N
MW288.46 g/mol
LogP2.32
Rot. Bonds6

About (4S,5S,6R)-5-methoxy-6-triethylsilyloxy-1-oxaspiro[2.5]octan-4-ol

(4S,5S,6R)-5-methoxy-6-triethylsilyloxy-1-oxaspiro[2.5]octan-4-ol (PubChem CID 134867210) has the molecular formula C14H28O4Si and a molecular weight of 288.46 g/mol. Its IUPAC name is (4S,5S,6R)-5-methoxy-6-triethylsilyloxy-1-oxaspiro[2.5]octan-4-ol.

Molecular Properties

Compound Name(4S,5S,6R)-5-methoxy-6-triethylsilyloxy-1-oxaspiro[2.5]octan-4-ol
PubChem CID134867210
Molecular FormulaC14H28O4Si
Molecular Weight288.46 g/mol
Exact Mass288.18
IUPAC Name(4S,5S,6R)-5-methoxy-6-triethylsilyloxy-1-oxaspiro[2.5]octan-4-ol
SMILESCC[Si](CC)(CC)O[C@@H]1CCC2(CO2)[C@@H](O)[C@@H]1OC
InChIInChI=1S/C14H28O4Si/c1-5-19(6-2,7-3)18-11-8-9-14(10-17-14)13(15)12(11)16-4/h11-13,15H,5-10H2,1-4H3/t11-,12-,13+,14?/m1/s1
InChIKeyFXTGIIDNRHPYHH-HABKJSAYSA-N
XLogP2.32
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 52.32
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'}

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Related Compounds

(3R,4R,5S,6R)-5-methoxy-4-(2-methoxypropan-2-yl)-1-oxaspiro[2.5]octan-6-ol
CID 149282015
[5-methoxy-4-[3-(3-methylbut-2-enyl)oxiren-2-yl]-1-oxaspiro[2.5]octan-6-yl] 2-chloroacetate
CID 89356808
[5-methoxy-4-[2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] formate
CID 22169531
(3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-6-prop-1-en-2-yloxy-1-oxaspiro[2.5]octane
CID 143815019
cyclopropyloxy(triethyl)silane
CID 151692966
triethyl-(6-triethylsilyloxycyclohex-3-en-1-yl)oxysilane
CID 100928683
(3R)-6-ethoxy-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbutyl)oxiran-2-yl]-1-oxaspiro[2.5]octane
CID 134266997
(3R)-5,6-dimethoxy-4-[(2R,3R)-2-methyl-3-(3-methylbutyl)oxiran-2-yl]-1-oxaspiro[2.5]octane
CID 130388308
(3R,4S,5R)-5-methoxy-6-methyl-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octane
CID 88931531
[(3R,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] N-(2-chloroacetyl)carbamate
CID 6517043
(3aS,4S,5R,7aR)-2,2-dimethylspiro[4,6,7,7a-tetrahydro-3aH-1,3-benzodioxole-5,2'-oxirane]-4-ol
CID 11333120
[(3R,4S,5S,6R)-4-(2,6-dimethylhept-5-en-2-yl)-5-methoxy-1-oxaspiro[2.5]octan-6-yl] N-[(1R)-2-amino-2-oxo-1-phenylethyl]carbamate
CID 142827243

Frequently Asked Questions

What is the IUPAC name of (4S,5S,6R)-5-methoxy-6-triethylsilyloxy-1-oxaspiro[2.5]octan-4-ol?
The IUPAC name of (4S,5S,6R)-5-methoxy-6-triethylsilyloxy-1-oxaspiro[2.5]octan-4-ol (CID 134867210) is (4S,5S,6R)-5-methoxy-6-triethylsilyloxy-1-oxaspiro[2.5]octan-4-ol.
What is the SMILES notation for (4S,5S,6R)-5-methoxy-6-triethylsilyloxy-1-oxaspiro[2.5]octan-4-ol?
The canonical SMILES for (4S,5S,6R)-5-methoxy-6-triethylsilyloxy-1-oxaspiro[2.5]octan-4-ol is CC[Si](CC)(CC)O[C@@H]1CCC2(CO2)[C@@H](O)[C@@H]1OC.
What is the InChIKey of (4S,5S,6R)-5-methoxy-6-triethylsilyloxy-1-oxaspiro[2.5]octan-4-ol?
The InChIKey is FXTGIIDNRHPYHH-HABKJSAYSA-N. The full InChI is InChI=1S/C14H28O4Si/c1-5-19(6-2,7-3)18-11-8-9-14(10-17-14)13(15)12(11)16-4/h11-13,15H,5-10H2,1-4H3/t11-,12-,13+,14?/m1/s1.
What are the key properties of (4S,5S,6R)-5-methoxy-6-triethylsilyloxy-1-oxaspiro[2.5]octan-4-ol?
(4S,5S,6R)-5-methoxy-6-triethylsilyloxy-1-oxaspiro[2.5]octan-4-ol has a molecular weight of 288.46 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S,6R)-5-methoxy-6-triethylsilyloxy-1-oxaspiro[2.5]octan-4-ol is sourced from PubChem (CID 134867210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).