(2S,3R,4R,5R)-5-(2-methylpropyl)-3-propa-1,2-dienyl-2-propan-2-yloxolane-3,4-diol

C14H24O3 — CID 176613099

IUPAC(2S,3R,4R,5R)-5-(2-methylpropyl)-3-propa-1,2-dienyl-2-propan-2-yloxolane-3,4-diol
SMILESC=C=C[C@@]1(O)[C@H](O)[C@@H](CC(C)C)O[C@H]1C(C)C
InChIInChI=1S/C14H24O3/c1-6-7-14(16)12(15)11(8-9(2)3)17-13(14)10(4)5/h7,9-13,15-16H,1,8H2,2-5H3/t11-,12-,13+,14-/m1/s1
InChIKeyHKUGDDKCOZXCQX-YIYPIFLZSA-N
MW240.34 g/mol
LogP1.89
Rot. Bonds4

About (2S,3R,4R,5R)-5-(2-methylpropyl)-3-propa-1,2-dienyl-2-propan-2-yloxolane-3,4-diol

(2S,3R,4R,5R)-5-(2-methylpropyl)-3-propa-1,2-dienyl-2-propan-2-yloxolane-3,4-diol (PubChem CID 176613099) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is (2S,3R,4R,5R)-5-(2-methylpropyl)-3-propa-1,2-dienyl-2-propan-2-yloxolane-3,4-diol.

Molecular Properties

Compound Name(2S,3R,4R,5R)-5-(2-methylpropyl)-3-propa-1,2-dienyl-2-propan-2-yloxolane-3,4-diol
PubChem CID176613099
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name(2S,3R,4R,5R)-5-(2-methylpropyl)-3-propa-1,2-dienyl-2-propan-2-yloxolane-3,4-diol
SMILESC=C=C[C@@]1(O)[C@H](O)[C@@H](CC(C)C)O[C@H]1C(C)C
InChIInChI=1S/C14H24O3/c1-6-7-14(16)12(15)11(8-9(2)3)17-13(14)10(4)5/h7,9-13,15-16H,1,8H2,2-5H3/t11-,12-,13+,14-/m1/s1
InChIKeyHKUGDDKCOZXCQX-YIYPIFLZSA-N
XLogP1.89
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5R)-5-(2-methylpropyl)-3-propa-1,2-dienyl-2-propan-2-yloxolane-3,4-diol?
The IUPAC name of (2S,3R,4R,5R)-5-(2-methylpropyl)-3-propa-1,2-dienyl-2-propan-2-yloxolane-3,4-diol (CID 176613099) is (2S,3R,4R,5R)-5-(2-methylpropyl)-3-propa-1,2-dienyl-2-propan-2-yloxolane-3,4-diol.
What is the SMILES notation for (2S,3R,4R,5R)-5-(2-methylpropyl)-3-propa-1,2-dienyl-2-propan-2-yloxolane-3,4-diol?
The canonical SMILES for (2S,3R,4R,5R)-5-(2-methylpropyl)-3-propa-1,2-dienyl-2-propan-2-yloxolane-3,4-diol is C=C=C[C@@]1(O)[C@H](O)[C@@H](CC(C)C)O[C@H]1C(C)C.
What is the InChIKey of (2S,3R,4R,5R)-5-(2-methylpropyl)-3-propa-1,2-dienyl-2-propan-2-yloxolane-3,4-diol?
The InChIKey is HKUGDDKCOZXCQX-YIYPIFLZSA-N. The full InChI is InChI=1S/C14H24O3/c1-6-7-14(16)12(15)11(8-9(2)3)17-13(14)10(4)5/h7,9-13,15-16H,1,8H2,2-5H3/t11-,12-,13+,14-/m1/s1.
What are the key properties of (2S,3R,4R,5R)-5-(2-methylpropyl)-3-propa-1,2-dienyl-2-propan-2-yloxolane-3,4-diol?
(2S,3R,4R,5R)-5-(2-methylpropyl)-3-propa-1,2-dienyl-2-propan-2-yloxolane-3,4-diol has a molecular weight of 240.34 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5R)-5-(2-methylpropyl)-3-propa-1,2-dienyl-2-propan-2-yloxolane-3,4-diol is sourced from PubChem (CID 176613099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).