propan-2-yl (2S,5S,6R)-6-[(2S)-4-hydroxy-2-methoxybutyl]-5-methyloxane-2-carboxylate

C15H28O5 — CID 24867728

IUPACpropan-2-yl (2S,5S,6R)-6-[(2S)-4-hydroxy-2-methoxybutyl]-5-methyloxane-2-carboxylate
SMILESCO[C@@H](CCO)C[C@H]1O[C@H](C(=O)OC(C)C)CC[C@@H]1C
InChIInChI=1S/C15H28O5/c1-10(2)19-15(17)13-6-5-11(3)14(20-13)9-12(18-4)7-8-16/h10-14,16H,5-9H2,1-4H3/t11-,12-,13-,14+/m0/s1
InChIKeyJVPDZPADHFEIKJ-XDQVBPFNSA-N
MW288.38 g/mol
LogP1.91
Rot. Bonds7

About propan-2-yl (2S,5S,6R)-6-[(2S)-4-hydroxy-2-methoxybutyl]-5-methyloxane-2-carboxylate

propan-2-yl (2S,5S,6R)-6-[(2S)-4-hydroxy-2-methoxybutyl]-5-methyloxane-2-carboxylate (PubChem CID 24867728) has the molecular formula C15H28O5 and a molecular weight of 288.38 g/mol. Its IUPAC name is propan-2-yl (2S,5S,6R)-6-[(2S)-4-hydroxy-2-methoxybutyl]-5-methyloxane-2-carboxylate.

Molecular Properties

Compound Namepropan-2-yl (2S,5S,6R)-6-[(2S)-4-hydroxy-2-methoxybutyl]-5-methyloxane-2-carboxylate
PubChem CID24867728
Molecular FormulaC15H28O5
Molecular Weight288.38 g/mol
Exact Mass288.19
IUPAC Namepropan-2-yl (2S,5S,6R)-6-[(2S)-4-hydroxy-2-methoxybutyl]-5-methyloxane-2-carboxylate
SMILESCO[C@@H](CCO)C[C@H]1O[C@H](C(=O)OC(C)C)CC[C@@H]1C
InChIInChI=1S/C15H28O5/c1-10(2)19-15(17)13-6-5-11(3)14(20-13)9-12(18-4)7-8-16/h10-14,16H,5-9H2,1-4H3/t11-,12-,13-,14+/m0/s1
InChIKeyJVPDZPADHFEIKJ-XDQVBPFNSA-N
XLogP1.91
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl (2S,5S,6R)-6-[(2S)-4-hydroxy-2-methoxybutyl]-5-methyloxane-2-carboxylate?
The IUPAC name of propan-2-yl (2S,5S,6R)-6-[(2S)-4-hydroxy-2-methoxybutyl]-5-methyloxane-2-carboxylate (CID 24867728) is propan-2-yl (2S,5S,6R)-6-[(2S)-4-hydroxy-2-methoxybutyl]-5-methyloxane-2-carboxylate.
What is the SMILES notation for propan-2-yl (2S,5S,6R)-6-[(2S)-4-hydroxy-2-methoxybutyl]-5-methyloxane-2-carboxylate?
The canonical SMILES for propan-2-yl (2S,5S,6R)-6-[(2S)-4-hydroxy-2-methoxybutyl]-5-methyloxane-2-carboxylate is CO[C@@H](CCO)C[C@H]1O[C@H](C(=O)OC(C)C)CC[C@@H]1C.
What is the InChIKey of propan-2-yl (2S,5S,6R)-6-[(2S)-4-hydroxy-2-methoxybutyl]-5-methyloxane-2-carboxylate?
The InChIKey is JVPDZPADHFEIKJ-XDQVBPFNSA-N. The full InChI is InChI=1S/C15H28O5/c1-10(2)19-15(17)13-6-5-11(3)14(20-13)9-12(18-4)7-8-16/h10-14,16H,5-9H2,1-4H3/t11-,12-,13-,14+/m0/s1.
What are the key properties of propan-2-yl (2S,5S,6R)-6-[(2S)-4-hydroxy-2-methoxybutyl]-5-methyloxane-2-carboxylate?
propan-2-yl (2S,5S,6R)-6-[(2S)-4-hydroxy-2-methoxybutyl]-5-methyloxane-2-carboxylate has a molecular weight of 288.38 g/mol, XLogP of 1.91, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (2S,5S,6R)-6-[(2S)-4-hydroxy-2-methoxybutyl]-5-methyloxane-2-carboxylate is sourced from PubChem (CID 24867728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).