[(2R)-2-[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] 3,3,5,5-tetramethylhexanoate

C16H30O6 — CID 177343122

IUPAC[(2R)-2-[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] 3,3,5,5-tetramethylhexanoate
SMILESCC(C)(C)CC(C)(C)CC(=O)OC[C@@H](O)[C@H]1OC[C@H](O)[C@H]1O
InChIInChI=1S/C16H30O6/c1-15(2,3)9-16(4,5)6-12(19)21-8-11(18)14-13(20)10(17)7-22-14/h10-11,13-14,17-18,20H,6-9H2,1-5H3/t10-,11+,13+,14+/m0/s1
InChIKeyJDWIFDHEHLATFP-OIMNJJJWSA-N
MW318.41 g/mol
LogP0.86
Rot. Bonds6

About [(2R)-2-[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] 3,3,5,5-tetramethylhexanoate

[(2R)-2-[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] 3,3,5,5-tetramethylhexanoate (PubChem CID 177343122) has the molecular formula C16H30O6 and a molecular weight of 318.41 g/mol. Its IUPAC name is [(2R)-2-[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] 3,3,5,5-tetramethylhexanoate.

Molecular Properties

Compound Name[(2R)-2-[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] 3,3,5,5-tetramethylhexanoate
PubChem CID177343122
Molecular FormulaC16H30O6
Molecular Weight318.41 g/mol
Exact Mass318.20
IUPAC Name[(2R)-2-[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] 3,3,5,5-tetramethylhexanoate
SMILESCC(C)(C)CC(C)(C)CC(=O)OC[C@@H](O)[C@H]1OC[C@H](O)[C@H]1O
InChIInChI=1S/C16H30O6/c1-15(2,3)9-16(4,5)6-12(19)21-8-11(18)14-13(20)10(17)7-22-14/h10-11,13-14,17-18,20H,6-9H2,1-5H3/t10-,11+,13+,14+/m0/s1
InChIKeyJDWIFDHEHLATFP-OIMNJJJWSA-N
XLogP0.86
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] 3,3,5,5-tetramethylhexanoate?
The IUPAC name of [(2R)-2-[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] 3,3,5,5-tetramethylhexanoate (CID 177343122) is [(2R)-2-[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] 3,3,5,5-tetramethylhexanoate.
What is the SMILES notation for [(2R)-2-[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] 3,3,5,5-tetramethylhexanoate?
The canonical SMILES for [(2R)-2-[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] 3,3,5,5-tetramethylhexanoate is CC(C)(C)CC(C)(C)CC(=O)OC[C@@H](O)[C@H]1OC[C@H](O)[C@H]1O.
What is the InChIKey of [(2R)-2-[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] 3,3,5,5-tetramethylhexanoate?
The InChIKey is JDWIFDHEHLATFP-OIMNJJJWSA-N. The full InChI is InChI=1S/C16H30O6/c1-15(2,3)9-16(4,5)6-12(19)21-8-11(18)14-13(20)10(17)7-22-14/h10-11,13-14,17-18,20H,6-9H2,1-5H3/t10-,11+,13+,14+/m0/s1.
What are the key properties of [(2R)-2-[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] 3,3,5,5-tetramethylhexanoate?
[(2R)-2-[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] 3,3,5,5-tetramethylhexanoate has a molecular weight of 318.41 g/mol, XLogP of 0.86, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] 3,3,5,5-tetramethylhexanoate is sourced from PubChem (CID 177343122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).