(E,6R)-6-[(2R,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3-methylhex-2-ene-1,6-diol

C15H28O4 — CID 156582174

IUPAC(E,6R)-6-[(2R,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3-methylhex-2-ene-1,6-diol
SMILESC/C(=C\CO)CC[C@@H](O)[C@@]1(C)CC[C@H](C(C)(C)O)O1
InChIInChI=1S/C15H28O4/c1-11(8-10-16)5-6-12(17)15(4)9-7-13(19-15)14(2,3)18/h8,12-13,16-18H,5-7,9-10H2,1-4H3/b11-8+/t12-,13-,15-/m1/s1
InChIKeyVLKSJGHISJJPQV-VFBYWLOFSA-N
MW272.38 g/mol
LogP1.77
Rot. Bonds6

About (E,6R)-6-[(2R,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3-methylhex-2-ene-1,6-diol

(E,6R)-6-[(2R,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3-methylhex-2-ene-1,6-diol (PubChem CID 156582174) has the molecular formula C15H28O4 and a molecular weight of 272.38 g/mol. Its IUPAC name is (E,6R)-6-[(2R,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3-methylhex-2-ene-1,6-diol.

Molecular Properties

Compound Name(E,6R)-6-[(2R,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3-methylhex-2-ene-1,6-diol
PubChem CID156582174
Molecular FormulaC15H28O4
Molecular Weight272.38 g/mol
Exact Mass272.20
IUPAC Name(E,6R)-6-[(2R,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3-methylhex-2-ene-1,6-diol
SMILESC/C(=C\CO)CC[C@@H](O)[C@@]1(C)CC[C@H](C(C)(C)O)O1
InChIInChI=1S/C15H28O4/c1-11(8-10-16)5-6-12(17)15(4)9-7-13(19-15)14(2,3)18/h8,12-13,16-18H,5-7,9-10H2,1-4H3/b11-8+/t12-,13-,15-/m1/s1
InChIKeyVLKSJGHISJJPQV-VFBYWLOFSA-N
XLogP1.77
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E,6R)-6-[(2R,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3-methylhex-2-ene-1,6-diol?
The IUPAC name of (E,6R)-6-[(2R,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3-methylhex-2-ene-1,6-diol (CID 156582174) is (E,6R)-6-[(2R,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3-methylhex-2-ene-1,6-diol.
What is the SMILES notation for (E,6R)-6-[(2R,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3-methylhex-2-ene-1,6-diol?
The canonical SMILES for (E,6R)-6-[(2R,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3-methylhex-2-ene-1,6-diol is C/C(=C\CO)CC[C@@H](O)[C@@]1(C)CC[C@H](C(C)(C)O)O1.
What is the InChIKey of (E,6R)-6-[(2R,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3-methylhex-2-ene-1,6-diol?
The InChIKey is VLKSJGHISJJPQV-VFBYWLOFSA-N. The full InChI is InChI=1S/C15H28O4/c1-11(8-10-16)5-6-12(17)15(4)9-7-13(19-15)14(2,3)18/h8,12-13,16-18H,5-7,9-10H2,1-4H3/b11-8+/t12-,13-,15-/m1/s1.
What are the key properties of (E,6R)-6-[(2R,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3-methylhex-2-ene-1,6-diol?
(E,6R)-6-[(2R,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3-methylhex-2-ene-1,6-diol has a molecular weight of 272.38 g/mol, XLogP of 1.77, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E,6R)-6-[(2R,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3-methylhex-2-ene-1,6-diol is sourced from PubChem (CID 156582174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).