(2S,3S,4R,5R)-4-methoxy-5-(2-methylpropyl)-3-propa-1,2-dienyl-2-propan-2-yloxolan-3-ol

C15H26O3 — CID 176613133

IUPAC(2S,3S,4R,5R)-4-methoxy-5-(2-methylpropyl)-3-propa-1,2-dienyl-2-propan-2-yloxolan-3-ol
SMILESC=C=C[C@@]1(O)[C@H](OC)[C@@H](CC(C)C)O[C@H]1C(C)C
InChIInChI=1S/C15H26O3/c1-7-8-15(16)13(11(4)5)18-12(9-10(2)3)14(15)17-6/h8,10-14,16H,1,9H2,2-6H3/t12-,13+,14-,15+/m1/s1
InChIKeyQDGWMXRIDICUIJ-BARDWOONSA-N
MW254.37 g/mol
LogP2.54
Rot. Bonds5

About (2S,3S,4R,5R)-4-methoxy-5-(2-methylpropyl)-3-propa-1,2-dienyl-2-propan-2-yloxolan-3-ol

(2S,3S,4R,5R)-4-methoxy-5-(2-methylpropyl)-3-propa-1,2-dienyl-2-propan-2-yloxolan-3-ol (PubChem CID 176613133) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is (2S,3S,4R,5R)-4-methoxy-5-(2-methylpropyl)-3-propa-1,2-dienyl-2-propan-2-yloxolan-3-ol.

Molecular Properties

Compound Name(2S,3S,4R,5R)-4-methoxy-5-(2-methylpropyl)-3-propa-1,2-dienyl-2-propan-2-yloxolan-3-ol
PubChem CID176613133
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name(2S,3S,4R,5R)-4-methoxy-5-(2-methylpropyl)-3-propa-1,2-dienyl-2-propan-2-yloxolan-3-ol
SMILESC=C=C[C@@]1(O)[C@H](OC)[C@@H](CC(C)C)O[C@H]1C(C)C
InChIInChI=1S/C15H26O3/c1-7-8-15(16)13(11(4)5)18-12(9-10(2)3)14(15)17-6/h8,10-14,16H,1,9H2,2-6H3/t12-,13+,14-,15+/m1/s1
InChIKeyQDGWMXRIDICUIJ-BARDWOONSA-N
XLogP2.54
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,5R)-4-methoxy-5-(2-methylpropyl)-3-propa-1,2-dienyl-2-propan-2-yloxolan-3-ol?
The IUPAC name of (2S,3S,4R,5R)-4-methoxy-5-(2-methylpropyl)-3-propa-1,2-dienyl-2-propan-2-yloxolan-3-ol (CID 176613133) is (2S,3S,4R,5R)-4-methoxy-5-(2-methylpropyl)-3-propa-1,2-dienyl-2-propan-2-yloxolan-3-ol.
What is the SMILES notation for (2S,3S,4R,5R)-4-methoxy-5-(2-methylpropyl)-3-propa-1,2-dienyl-2-propan-2-yloxolan-3-ol?
The canonical SMILES for (2S,3S,4R,5R)-4-methoxy-5-(2-methylpropyl)-3-propa-1,2-dienyl-2-propan-2-yloxolan-3-ol is C=C=C[C@@]1(O)[C@H](OC)[C@@H](CC(C)C)O[C@H]1C(C)C.
What is the InChIKey of (2S,3S,4R,5R)-4-methoxy-5-(2-methylpropyl)-3-propa-1,2-dienyl-2-propan-2-yloxolan-3-ol?
The InChIKey is QDGWMXRIDICUIJ-BARDWOONSA-N. The full InChI is InChI=1S/C15H26O3/c1-7-8-15(16)13(11(4)5)18-12(9-10(2)3)14(15)17-6/h8,10-14,16H,1,9H2,2-6H3/t12-,13+,14-,15+/m1/s1.
What are the key properties of (2S,3S,4R,5R)-4-methoxy-5-(2-methylpropyl)-3-propa-1,2-dienyl-2-propan-2-yloxolan-3-ol?
(2S,3S,4R,5R)-4-methoxy-5-(2-methylpropyl)-3-propa-1,2-dienyl-2-propan-2-yloxolan-3-ol has a molecular weight of 254.37 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,5R)-4-methoxy-5-(2-methylpropyl)-3-propa-1,2-dienyl-2-propan-2-yloxolan-3-ol is sourced from PubChem (CID 176613133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).