methyl (2S)-2-[(2R,5S)-5-[(2S)-2-hydroxypentyl]oxolan-2-yl]butanoate

C14H26O4 — CID 10264496

IUPACmethyl (2S)-2-[(2R,5S)-5-[(2S)-2-hydroxypentyl]oxolan-2-yl]butanoate
SMILESCCC[C@H](O)C[C@@H]1CC[C@H]([C@H](CC)C(=O)OC)O1
InChIInChI=1S/C14H26O4/c1-4-6-10(15)9-11-7-8-13(18-11)12(5-2)14(16)17-3/h10-13,15H,4-9H2,1-3H3/t10-,11-,12-,13+/m0/s1
InChIKeyHHFHOMOKYFKQPK-ZDEQEGDKSA-N
MW258.36 g/mol
LogP2.28
Rot. Bonds7

About methyl (2S)-2-[(2R,5S)-5-[(2S)-2-hydroxypentyl]oxolan-2-yl]butanoate

methyl (2S)-2-[(2R,5S)-5-[(2S)-2-hydroxypentyl]oxolan-2-yl]butanoate (PubChem CID 10264496) has the molecular formula C14H26O4 and a molecular weight of 258.36 g/mol. Its IUPAC name is methyl (2S)-2-[(2R,5S)-5-[(2S)-2-hydroxypentyl]oxolan-2-yl]butanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[(2R,5S)-5-[(2S)-2-hydroxypentyl]oxolan-2-yl]butanoate
PubChem CID10264496
Molecular FormulaC14H26O4
Molecular Weight258.36 g/mol
Exact Mass258.18
IUPAC Namemethyl (2S)-2-[(2R,5S)-5-[(2S)-2-hydroxypentyl]oxolan-2-yl]butanoate
SMILESCCC[C@H](O)C[C@@H]1CC[C@H]([C@H](CC)C(=O)OC)O1
InChIInChI=1S/C14H26O4/c1-4-6-10(15)9-11-7-8-13(18-11)12(5-2)14(16)17-3/h10-13,15H,4-9H2,1-3H3/t10-,11-,12-,13+/m0/s1
InChIKeyHHFHOMOKYFKQPK-ZDEQEGDKSA-N
XLogP2.28
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[(2R,5S)-5-[(2S)-2-hydroxypentyl]oxolan-2-yl]butanoate?
The IUPAC name of methyl (2S)-2-[(2R,5S)-5-[(2S)-2-hydroxypentyl]oxolan-2-yl]butanoate (CID 10264496) is methyl (2S)-2-[(2R,5S)-5-[(2S)-2-hydroxypentyl]oxolan-2-yl]butanoate.
What is the SMILES notation for methyl (2S)-2-[(2R,5S)-5-[(2S)-2-hydroxypentyl]oxolan-2-yl]butanoate?
The canonical SMILES for methyl (2S)-2-[(2R,5S)-5-[(2S)-2-hydroxypentyl]oxolan-2-yl]butanoate is CCC[C@H](O)C[C@@H]1CC[C@H]([C@H](CC)C(=O)OC)O1.
What is the InChIKey of methyl (2S)-2-[(2R,5S)-5-[(2S)-2-hydroxypentyl]oxolan-2-yl]butanoate?
The InChIKey is HHFHOMOKYFKQPK-ZDEQEGDKSA-N. The full InChI is InChI=1S/C14H26O4/c1-4-6-10(15)9-11-7-8-13(18-11)12(5-2)14(16)17-3/h10-13,15H,4-9H2,1-3H3/t10-,11-,12-,13+/m0/s1.
What are the key properties of methyl (2S)-2-[(2R,5S)-5-[(2S)-2-hydroxypentyl]oxolan-2-yl]butanoate?
methyl (2S)-2-[(2R,5S)-5-[(2S)-2-hydroxypentyl]oxolan-2-yl]butanoate has a molecular weight of 258.36 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[(2R,5S)-5-[(2S)-2-hydroxypentyl]oxolan-2-yl]butanoate is sourced from PubChem (CID 10264496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).