methyl (2R)-2-hydroxy-2-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]acetate

C14H22O8 — CID 100984375

IUPACmethyl (2R)-2-hydroxy-2-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]acetate
SMILESCOC(=O)[C@H](O)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21
InChIInChI=1S/C14H22O8/c1-13(2)19-8-7(6(15)11(16)17-5)18-12-10(9(8)20-13)21-14(3,4)22-12/h6-10,12,15H,1-5H3/t6-,7-,8+,9+,10-,12-/m1/s1
InChIKeyQSFYNOWXQAHVEK-LNTIRVFTSA-N
MW318.32 g/mol
LogP-0.08
Rot. Bonds2

About methyl (2R)-2-hydroxy-2-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]acetate

methyl (2R)-2-hydroxy-2-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]acetate (PubChem CID 100984375) has the molecular formula C14H22O8 and a molecular weight of 318.32 g/mol. Its IUPAC name is methyl (2R)-2-hydroxy-2-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]acetate.

Molecular Properties

Compound Namemethyl (2R)-2-hydroxy-2-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]acetate
PubChem CID100984375
Molecular FormulaC14H22O8
Molecular Weight318.32 g/mol
Exact Mass318.13
IUPAC Namemethyl (2R)-2-hydroxy-2-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]acetate
SMILESCOC(=O)[C@H](O)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21
InChIInChI=1S/C14H22O8/c1-13(2)19-8-7(6(15)11(16)17-5)18-12-10(9(8)20-13)21-14(3,4)22-12/h6-10,12,15H,1-5H3/t6-,7-,8+,9+,10-,12-/m1/s1
InChIKeyQSFYNOWXQAHVEK-LNTIRVFTSA-N
XLogP-0.08
TPSA92.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.32
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl (2R)-2-hydroxy-2-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-hydroxy-2-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]acetate?
The IUPAC name of methyl (2R)-2-hydroxy-2-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]acetate (CID 100984375) is methyl (2R)-2-hydroxy-2-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]acetate.
What is the SMILES notation for methyl (2R)-2-hydroxy-2-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]acetate?
The canonical SMILES for methyl (2R)-2-hydroxy-2-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]acetate is COC(=O)[C@H](O)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21.
What is the InChIKey of methyl (2R)-2-hydroxy-2-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]acetate?
The InChIKey is QSFYNOWXQAHVEK-LNTIRVFTSA-N. The full InChI is InChI=1S/C14H22O8/c1-13(2)19-8-7(6(15)11(16)17-5)18-12-10(9(8)20-13)21-14(3,4)22-12/h6-10,12,15H,1-5H3/t6-,7-,8+,9+,10-,12-/m1/s1.
What are the key properties of methyl (2R)-2-hydroxy-2-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]acetate?
methyl (2R)-2-hydroxy-2-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]acetate has a molecular weight of 318.32 g/mol, XLogP of -0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-hydroxy-2-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]acetate is sourced from PubChem (CID 100984375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).