2-[(2R,5S)-5-[(2S,5S)-5-[(1S)-1-hydroxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]propan-2-ol

C15H28O4 — CID 134975174

IUPAC2-[(2R,5S)-5-[(2S,5S)-5-[(1S)-1-hydroxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]propan-2-ol
SMILESC[C@H](O)[C@]1(C)CC[C@@H]([C@]2(C)CC[C@H](C(C)(C)O)O2)O1
InChIInChI=1S/C15H28O4/c1-10(16)14(4)8-7-12(19-14)15(5)9-6-11(18-15)13(2,3)17/h10-12,16-17H,6-9H2,1-5H3/t10-,11+,12-,14-,15-/m0/s1
InChIKeySJNIKIPRRHKADI-XXUMUBMXSA-N
MW272.38 g/mol
LogP2.01
Rot. Bonds3

About 2-[(2R,5S)-5-[(2S,5S)-5-[(1S)-1-hydroxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]propan-2-ol

2-[(2R,5S)-5-[(2S,5S)-5-[(1S)-1-hydroxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]propan-2-ol (PubChem CID 134975174) has the molecular formula C15H28O4 and a molecular weight of 272.38 g/mol. Its IUPAC name is 2-[(2R,5S)-5-[(2S,5S)-5-[(1S)-1-hydroxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[(2R,5S)-5-[(2S,5S)-5-[(1S)-1-hydroxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]propan-2-ol
PubChem CID134975174
Molecular FormulaC15H28O4
Molecular Weight272.38 g/mol
Exact Mass272.20
IUPAC Name2-[(2R,5S)-5-[(2S,5S)-5-[(1S)-1-hydroxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]propan-2-ol
SMILESC[C@H](O)[C@]1(C)CC[C@@H]([C@]2(C)CC[C@H](C(C)(C)O)O2)O1
InChIInChI=1S/C15H28O4/c1-10(16)14(4)8-7-12(19-14)15(5)9-6-11(18-15)13(2,3)17/h10-12,16-17H,6-9H2,1-5H3/t10-,11+,12-,14-,15-/m0/s1
InChIKeySJNIKIPRRHKADI-XXUMUBMXSA-N
XLogP2.01
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R,5S)-5-[(2S,5S)-5-[(1S)-1-hydroxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]propan-2-ol?
The IUPAC name of 2-[(2R,5S)-5-[(2S,5S)-5-[(1S)-1-hydroxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]propan-2-ol (CID 134975174) is 2-[(2R,5S)-5-[(2S,5S)-5-[(1S)-1-hydroxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]propan-2-ol.
What is the SMILES notation for 2-[(2R,5S)-5-[(2S,5S)-5-[(1S)-1-hydroxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]propan-2-ol?
The canonical SMILES for 2-[(2R,5S)-5-[(2S,5S)-5-[(1S)-1-hydroxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]propan-2-ol is C[C@H](O)[C@]1(C)CC[C@@H]([C@]2(C)CC[C@H](C(C)(C)O)O2)O1.
What is the InChIKey of 2-[(2R,5S)-5-[(2S,5S)-5-[(1S)-1-hydroxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]propan-2-ol?
The InChIKey is SJNIKIPRRHKADI-XXUMUBMXSA-N. The full InChI is InChI=1S/C15H28O4/c1-10(16)14(4)8-7-12(19-14)15(5)9-6-11(18-15)13(2,3)17/h10-12,16-17H,6-9H2,1-5H3/t10-,11+,12-,14-,15-/m0/s1.
What are the key properties of 2-[(2R,5S)-5-[(2S,5S)-5-[(1S)-1-hydroxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]propan-2-ol?
2-[(2R,5S)-5-[(2S,5S)-5-[(1S)-1-hydroxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]propan-2-ol has a molecular weight of 272.38 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,5S)-5-[(2S,5S)-5-[(1S)-1-hydroxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]propan-2-ol is sourced from PubChem (CID 134975174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).